D472-0518 Screening compound: 1,3-benzothiazol-2-yl {[8,9-dimethyl-7-(3-methyl-2-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl} sulfide

D472-0518 Screening compound: 1,3-benzothiazol-2-yl {[8,9-dimethyl-7-(3-methyl-2-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl} sulfide
D472-0518 Screening compound: 1,3-benzothiazol-2-yl {[8,9-dimethyl-7-(3-methyl-2-pyridyl)-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 D472-0518
1,3-benzothiazol-2-yl {[8,9-dimethyl-7-(3-methyl-2-pyridyl)-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

D472-0518

Molecular Formula

C23H19N7S2 (C23 H19 N7 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(c1c2ncn3nc(CSc4nc(cccc5)c5s4)nc13)c(C)n2-c1ncccc1C

InChI

InChI=1S/C23H19N7S2/c1-13-7-6-10-24-20(13)30-15(3)14(2)19-21(30)25-12-29-22(19)27-18(28-29)11-31-23-26-16-8-4-5-9-17(16)32-23/h4-10,12H,11H2,1-3H3

InChI Key

BCZRIBGOEGQGHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.58

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

5.065

Distribution Coefficient, logD

3.605

Water Solubility, LogSw

-4.90

Polar Surface Area

51.870

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

8.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D472-0518 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D472-0518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0518?
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What is the minimum amount of D472-0518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0518
  • 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 D472-0518 available by request