A0018474 Screening compound: 5-{[(3-nitrophenyl)methyl]sulfanyl}-6-phenyl-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

A0018474 Screening compound: 5-{[(3-nitrophenyl)methyl]sulfanyl}-6-phenyl-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
A0018474 Screening compound: 5-{[(3-nitrophenyl)methyl]sulfanyl}-6-phenyl-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 A0018474
5-{[(3-nitrophenyl)methyl]sulfanyl}-6-phenyl-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

A0018474

Molecular Formula

C26H20N4O3S3 (C26 H20 N4 O3 S3)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cccc(CSC(N(c2ccccc2)C2=O)=NC(N3CCc4ccccc4)=C2SC3=S)c1)=O

InChI

InChI=1S/C26H20N4O3S3/c31-24-22-23(28(26(34)36-22)15-14-18-8-3-1-4-9-18)27-25(29(24)20-11-5-2-6-12-20)35-17-19-10-7-13-21(16-19)30(32)33/h1-13,16H,14-15,17H2

InChI Key

UDASPSWSODZAGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.67

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.825

Distribution Coefficient, logD

5.825

Water Solubility, LogSw

-5.86

Polar Surface Area

60.926

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with A0018474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0018474?
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What is the minimum amount of A0018474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0018474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0018474
  • 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 A0018474 available by request