D472-0873 Screening compound: 1,3-benzoxazol-2-yl {[7-(2-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl} sulfide

D472-0873 Screening compound: 1,3-benzoxazol-2-yl {[7-(2-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl} sulfide
D472-0873 Screening compound: 1,3-benzoxazol-2-yl {[7-(2-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl} sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0873
1,3-benzoxazol-2-yl {[7-(2-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl} sulfide

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

D472-0873

Molecular Formula

C23H17ClN6OS (C23 H17 ClN6 OS)

Compound Name

1,3-benzoxazol-2-yl {[7-(2-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl} sulfide

IUPAC name

4-[(13-benzoxazol-2-ylsulfanyl)methyl]-10-(2-chlorophenyl)-1112-dimethyl-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

Cc(c1c2ncn3nc(CSc4nc(cccc5)c5o4)nc13)c(C)n2-c(cccc1)c1Cl

InChI

InChI=1S/C23H17ClN6OS/c1-13-14(2)30(17-9-5-3-7-15(17)24)21-20(13)22-27-19(28-29(22)12-25-21)11-32-23-26-16-8-4-6-10-18(16)31-23/h3-10,12H,11H2,1-2H3

InChI Key

JZXVOYGQYRGELC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.196

Distribution Coefficient, logD

5.150

Water Solubility, LogSw

-5.69

Polar Surface Area

50.170

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D472-0873 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)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D472-0873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0873?
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What is the minimum amount of D472-0873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0873
  • 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 D472-0873 available by request