D472-1008 Screening compound: 2-[2-(4-methoxybenzyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3-benzothiazole

D472-1008 Screening compound: 2-[2-(4-methoxybenzyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3-benzothiazole
D472-1008 Screening compound: 2-[2-(4-methoxybenzyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-1008
2-[2-(4-methoxybenzyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3-benzothiazole

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

D472-1008

Molecular Formula

C24H20N6OS (C24 H20 N6 OS)

Compound Name

2-[2-(4-methoxybenzyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3-benzothiazole

IUPAC name

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

SMILES

Cc(c1c2ncn3nc(Cc(cc4)ccc4OC)nc13)c(C)n2-c1nc(cccc2)c2s1

InChI

InChI=1S/C24H20N6OS/c1-14-15(2)30(24-26-18-6-4-5-7-19(18)32-24)22-21(14)23-27-20(28-29(23)13-25-22)12-16-8-10-17(31-3)11-9-16/h4-11,13H,12H2,1-3H3

InChI Key

RYHGSUWGPQZTSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.988

Distribution Coefficient, logD

4.942

Water Solubility, LogSw

-5.00

Polar Surface Area

50.887

Acid Dissociation Constant (pKa)

27.14

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D472-1008 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D472-1008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-1008?
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What is the minimum amount of D472-1008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-1008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-1008
  • 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 D472-1008 available by request