A0018670 Screening compound: 3-(2,6-dimethylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-6-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

A0018670 Screening compound: 3-(2,6-dimethylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-6-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
A0018670 Screening compound: 3-(2,6-dimethylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-6-(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 A0018670
3-(2,6-dimethylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-6-(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

A0018670

Molecular Formula

C28H24N4O3S3 (C28 H24 N4 O3 S3)

Compound Name

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

IUPAC name

3-(26-dimethylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-6-(2-phenylethyl)-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

Cc1cccc(C)c1N(C(N=C(N(CCc1ccccc1)C1=O)SCc2cc([N+]([O-])=O)ccc2)=C1S1)C1=S

InChI

InChI=1S/C28H24N4O3S3/c1-18-8-6-9-19(2)23(18)31-25-24(38-28(31)36)26(33)30(15-14-20-10-4-3-5-11-20)27(29-25)37-17-21-12-7-13-22(16-21)32(34)35/h3-13,16H,14-15,17H2,1-2H3

InChI Key

MNDCFYKHWYCHCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.72

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

6.733

Distribution Coefficient, logD

6.733

Water Solubility, LogSw

-5.61

Polar Surface Area

60.324

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

A0018670 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with A0018670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0018670?
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What is the minimum amount of A0018670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0018670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0018670
  • 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 A0018670 available by request