D472-0259 Screening compound: 2-({[7-(3-methoxyphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}sulfanyl)-1,3-benzoxazole

D472-0259 Screening compound: 2-({[7-(3-methoxyphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}sulfanyl)-1,3-benzoxazole
D472-0259 Screening compound: 2-({[7-(3-methoxyphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}sulfanyl)-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0259
2-({[7-(3-methoxyphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}sulfanyl)-1,3-benzoxazole

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

D472-0259

Molecular Formula

C24H20N6O2S (C24 H20 N6 O2 S)

Compound Name

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

IUPAC name

4-[(13-benzoxazol-2-ylsulfanyl)methyl]-10-(3-methoxyphenyl)-1112-dimethyl-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

Cc(c1c2ncn3nc(CSc4nc(cccc5)c5o4)nc13)c(C)n2-c1cc(OC)ccc1

InChI

InChI=1S/C24H20N6O2S/c1-14-15(2)30(16-7-6-8-17(11-16)31-3)22-21(14)23-27-20(28-29(23)13-25-22)12-33-24-26-18-9-4-5-10-19(18)32-24/h4-11,13H,12H2,1-3H3

InChI Key

VCKPJHQAKCDBGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.938

Distribution Coefficient, logD

4.885

Water Solubility, LogSw

-4.98

Polar Surface Area

58.015

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

6.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D472-0259 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)

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Nervous system
  • 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

References: we are preparing a list of scientific research reports with D472-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0259?
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What is the minimum amount of D472-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0259
  • 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 D472-0259 available by request