D471-1357 Screening compound: 3-(5-chloro-2-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)-1-(2,4-difluorophenyl)urea

D471-1357 Screening compound: 3-(5-chloro-2-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)-1-(2,4-difluorophenyl)urea
D471-1357 Screening compound: 3-(5-chloro-2-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)-1-(2,4-difluorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D471-1357
3-(5-chloro-2-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)-1-(2,4-difluorophenyl)urea

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

D471-1357

Molecular Formula

C22H19ClF2N6O3 (C22 H19 ClF2 N6 O3)

Compound Name

3-(5-chloro-2-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)-1-(2,4-difluorophenyl)urea

IUPAC name

3-(5-chloro-2-{[7-oxo-1-(propan-2-yl)-1H7H-[124]triazolo[15-a]pyrimidin-5-yl]methoxy}phenyl)-1-(24-difluorophenyl)urea

SMILES

CC(C)N(C=NC1=NC(COc(ccc(Cl)c2)c2NC(Nc(ccc(F)c2)c2F)=O)=C2)N1C2=O

InChI

InChI=1S/C22H19ClF2N6O3/c1-12(2)30-11-26-21-27-15(9-20(32)31(21)30)10-34-19-6-3-13(23)7-18(19)29-22(33)28-17-5-4-14(24)8-16(17)25/h3-9,11-12H,10H2,1-2H3,(H2,28,29,33)

InChI Key

WQXFUCRWERKDGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.201

Distribution Coefficient, logD

2.858

Water Solubility, LogSw

-3.61

Polar Surface Area

80.670

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D471-1357 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with D471-1357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D471-1357?
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What is the minimum amount of D471-1357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D471-1357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D471-1357
  • 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 D471-1357 available by request