D434-0326 Screening compound: 1-{4-[7-(2-chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-(2-fluorophenoxy)ethan-1-one

D434-0326 Screening compound: 1-{4-[7-(2-chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-(2-fluorophenoxy)ethan-1-one
D434-0326 Screening compound: 1-{4-[7-(2-chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-(2-fluorophenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D434-0326
1-{4-[7-(2-chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-(2-fluorophenoxy)ethan-1-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D434-0326

Molecular Formula

C30H25ClFN5O2 (C30 H25 ClFN5 O2)

Compound Name

1-{4-[7-(2-chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-(2-fluorophenoxy)ethan-1-one

IUPAC name

1-{4-[7-(2-chlorophenyl)-5-phenyl-7H-pyrrolo[23-d]pyrimidin-4-yl]piperazin-1-yl}-2-(2-fluorophenoxy)ethan-1-one

SMILES

O=C(COc(cccc1)c1F)N(CC1)CCN1c1c(c(-c2ccccc2)cn2-c(cccc3)c3Cl)c2ncn1

InChI

InChI=1S/C30H25ClFN5O2/c31-23-10-4-6-12-25(23)37-18-22(21-8-2-1-3-9-21)28-29(33-20-34-30(28)37)36-16-14-35(15-17-36)27(38)19-39-26-13-7-5-11-24(26)32/h1-13,18,20H,14-17,19H2

InChI Key

LTUUROKUQJXMEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09762915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.01

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.692

Distribution Coefficient, logD

5.584

Water Solubility, LogSw

-5.94

Polar Surface Area

49.426

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D434-0326 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Immune system
Targets:
  • Kinases
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D434-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D434-0326?
Check Price and Availability of D434-0326, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D434-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D434-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D434-0326
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D434-0326 available by request