D434-0181 Screening compound: 1-(2-fluorobenzoyl)-4-[7-(4-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine

D434-0181 Screening compound: 1-(2-fluorobenzoyl)-4-[7-(4-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine
D434-0181 Screening compound: 1-(2-fluorobenzoyl)-4-[7-(4-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D434-0181
1-(2-fluorobenzoyl)-4-[7-(4-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine

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

D434-0181

Molecular Formula

C30H26FN5O2 (C30 H26 FN5 O2)

Compound Name

1-(2-fluorobenzoyl)-4-[7-(4-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine

IUPAC name

1-(2-fluorobenzoyl)-4-[7-(4-methoxyphenyl)-5-phenyl-7H-pyrrolo[23-d]pyrimidin-4-yl]piperazine

SMILES

COc(cc1)ccc1-n(cc1-c2ccccc2)c2c1c(N(CC1)CCN1C(c(cccc1)c1F)=O)ncn2

InChI

InChI=1S/C30H26FN5O2/c1-38-23-13-11-22(12-14-23)36-19-25(21-7-3-2-4-8-21)27-28(32-20-33-29(27)36)34-15-17-35(18-16-34)30(37)24-9-5-6-10-26(24)31/h2-14,19-20H,15-18H2,1H3

InChI Key

MWBDTEVVAHBBET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09762770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.560

Distribution Coefficient, logD

5.452

Water Solubility, LogSw

-5.75

Polar Surface Area

50.212

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D434-0181 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D434-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D434-0181?
Check Price and Availability of D434-0181, 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 D434-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D434-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D434-0181
  • 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 D434-0181 available by request