A0018470 Screening compound: 3-(2,6-dimethylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

A0018470 Screening compound: 3-(2,6-dimethylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
A0018470 Screening compound: 3-(2,6-dimethylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound A0018470
3-(2,6-dimethylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-6-phenyl-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

A0018470

Molecular Formula

C26H20N4O3S3 (C26 H20 N4 O3 S3)

Compound Name

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

SMILES

Cc1cccc(C)c1N(C(N=C(N(c1ccccc1)C1=O)SCc2cc([N+]([O-])=O)ccc2)=C1S1)C1=S

InChI

InChI=1S/C26H20N4O3S3/c1-16-8-6-9-17(2)21(16)29-23-22(36-26(29)34)24(31)28(19-11-4-3-5-12-19)25(27-23)35-15-18-10-7-13-20(14-18)30(32)33/h3-14H,15H2,1-2H3

InChI Key

YDIIMMYUDZTORV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112287

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

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.037

Distribution Coefficient, logD

6.037

Water Solubility, LogSw

-5.45

Polar Surface Area

59.734

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with A0018470 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of A0018470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0018470
ChemDiv sends parcels with Express services (UPS, WC).
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Delivery formats for A0018470
  • 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 A0018470 available by request