D434-0285 Screening compound: 2-(4-chlorophenoxy)-1-{4-[7-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}ethan-1-one

D434-0285 Screening compound: 2-(4-chlorophenoxy)-1-{4-[7-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
D434-0285 Screening compound: 2-(4-chlorophenoxy)-1-{4-[7-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D434-0285
2-(4-chlorophenoxy)-1-{4-[7-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}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

D434-0285

Molecular Formula

C31H28ClN5O2 (C31 H28 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-n(cc1-c2ccccc2)c2c1c(N(CC1)CCN1C(COc(cc1)ccc1Cl)=O)ncn2

InChI

InChI=1S/C31H28ClN5O2/c1-22-7-5-6-10-27(22)37-19-26(23-8-3-2-4-9-23)29-30(33-21-34-31(29)37)36-17-15-35(16-18-36)28(38)20-39-25-13-11-24(32)12-14-25/h2-14,19,21H,15-18,20H2,1H3

InChI Key

PAGQUFIUGUOBQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09762874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.05

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

6.177

Distribution Coefficient, logD

5.921

Water Solubility, LogSw

-6.12

Polar Surface Area

49.339

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

7.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.40

D434-0285 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D434-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D434-0285?
Check Price and Availability of D434-0285, 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 D434-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D434-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D434-0285
  • 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 D434-0285 available by request