D471-2963 Screening compound: 3-[4-({[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]-1-phenylurea

D471-2963 Screening compound: 3-[4-({[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]-1-phenylurea
D471-2963 Screening compound: 3-[4-({[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D471-2963
3-[4-({[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]-1-phenylurea

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

D471-2963

Molecular Formula

C22H22N6O2S (C22 H22 N6 O2 S)

Compound Name

3-[4-({[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]-1-phenylurea

IUPAC name

3-[4-({[7-oxo-1-(propan-2-yl)-1H7H-[124]triazolo[15-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]-1-phenylurea

SMILES

CC(C)N(C=NC1=NC(CSc(cc2)ccc2NC(Nc2ccccc2)=O)=C2)N1C2=O

InChI

InChI=1S/C22H22N6O2S/c1-15(2)27-14-23-21-24-18(12-20(29)28(21)27)13-31-19-10-8-17(9-11-19)26-22(30)25-16-6-4-3-5-7-16/h3-12,14-15H,13H2,1-2H3,(H2,25,26,30)

InChI Key

XFVFQUZYIMJNMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.285

Distribution Coefficient, logD

3.116

Water Solubility, LogSw

-3.75

Polar Surface Area

74.480

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D471-2963 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D471-2963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D471-2963?
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What is the minimum amount of D471-2963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D471-2963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D471-2963
  • 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 D471-2963 available by request