A0018874 Screening compound: 6-butyl-5-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

A0018874 Screening compound: 6-butyl-5-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
A0018874 Screening compound: 6-butyl-5-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound A0018874
6-butyl-5-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

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

A0018874

Molecular Formula

C24H24N4O3S3 (C24 H24 N4 O3 S3)

Compound Name

6-butyl-5-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

IUPAC name

6-butyl-5-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

CCCCN(C1=O)C(SCc2cc([N+]([O-])=O)ccc2)=NC(N2CCc3ccccc3)=C1SC2=S

InChI

InChI=1S/C24H24N4O3S3/c1-2-3-13-27-22(29)20-21(26(24(32)34-20)14-12-17-8-5-4-6-9-17)25-23(27)33-16-18-10-7-11-19(15-18)28(30)31/h4-11,15H,2-3,12-14,16H2,1H3

InChI Key

CSARFPQBPSLWLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.68

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.084

Distribution Coefficient, logD

6.084

Water Solubility, LogSw

-5.30

Polar Surface Area

61.787

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with A0018874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0018874?
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What is the minimum amount of A0018874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0018874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0018874
  • 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 A0018874 available by request