D434-0040 Screening compound: (2E)-1-(4-{5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazin-1-yl)-3-(4-fluorophenyl)prop-2-en-1-one

D434-0040 Screening compound: (2E)-1-(4-{5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazin-1-yl)-3-(4-fluorophenyl)prop-2-en-1-one
D434-0040 Screening compound: (2E)-1-(4-{5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazin-1-yl)-3-(4-fluorophenyl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D434-0040
(2E)-1-(4-{5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazin-1-yl)-3-(4-fluorophenyl)prop-2-en-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

D434-0040

Molecular Formula

C31H26FN5O (C31 H26 FN5 O)

Compound Name

(2E)-1-(4-{5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazin-1-yl)-3-(4-fluorophenyl)prop-2-en-1-one

IUPAC name

(2E)-1-(4-{57-diphenyl-7H-pyrrolo[23-d]pyrimidin-4-yl}piperazin-1-yl)-3-(4-fluorophenyl)prop-2-en-1-one

SMILES

O=C(/C=C/c(cc1)ccc1F)N(CC1)CCN1c1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1

InChI

InChI=1S/C31H26FN5O/c32-25-14-11-23(12-15-25)13-16-28(38)35-17-19-36(20-18-35)30-29-27(24-7-3-1-4-8-24)21-37(31(29)34-22-33-30)26-9-5-2-6-10-26/h1-16,21-22H,17-20H2

InChI Key

OMNPSDIOMKSNIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09762629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.046

Distribution Coefficient, logD

5.938

Water Solubility, LogSw

-6.15

Polar Surface Area

42.141

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

D434-0040 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

MCL1 Targeted Library (12200 compounds)

Akt-Targeted Library (14764 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D434-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D434-0040?
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What is the minimum amount of D434-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D434-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D434-0040
  • 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 D434-0040 available by request