D472-1006 Screening compound: [7-(1,3-benzothiazol-2-yl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl (1,3-benzoxazol-2-yl) sulfide

D472-1006 Screening compound: [7-(1,3-benzothiazol-2-yl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl (1,3-benzoxazol-2-yl) sulfide
D472-1006 Screening compound: [7-(1,3-benzothiazol-2-yl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl (1,3-benzoxazol-2-yl) sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-1006
[7-(1,3-benzothiazol-2-yl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl (1,3-benzoxazol-2-yl) 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

D472-1006

Molecular Formula

C24H17N7OS2 (C24 H17 N7 OS2)

Compound Name

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

IUPAC name

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

SMILES

Cc(c1c2ncn3nc(CSc4nc(cccc5)c5o4)nc13)c(C)n2-c1nc(cccc2)c2s1

InChI

InChI=1S/C24H17N7OS2/c1-13-14(2)31(23-26-16-8-4-6-10-18(16)34-23)21-20(13)22-28-19(29-30(22)12-25-21)11-33-24-27-15-7-3-5-9-17(15)32-24/h3-10,12H,11H2,1-2H3

InChI Key

COUBSKNFCNVNOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.610

Distribution Coefficient, logD

5.557

Water Solubility, LogSw

-5.91

Polar Surface Area

60.007

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

6.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D472-1006 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D472-1006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-1006?
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What is the minimum amount of D472-1006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-1006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-1006
  • 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 D472-1006 available by request