A0018769 Screening compound: 6-cyclohexyl-3-(2,5-dimethoxyphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

A0018769 Screening compound: 6-cyclohexyl-3-(2,5-dimethoxyphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
A0018769 Screening compound: 6-cyclohexyl-3-(2,5-dimethoxyphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound A0018769
6-cyclohexyl-3-(2,5-dimethoxyphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-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

A0018769

Molecular Formula

C26H26N4O5S3 (C26 H26 N4 O5 S3)

Compound Name

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

IUPAC name

6-cyclohexyl-3-(25-dimethoxyphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

COc(cc1)cc(N(C(N=C(N(C2CCCCC2)C2=O)SCc3cc([N+]([O-])=O)ccc3)=C2S2)C2=S)c1OC

InChI

InChI=1S/C26H26N4O5S3/c1-34-19-11-12-21(35-2)20(14-19)29-23-22(38-26(29)36)24(31)28(17-8-4-3-5-9-17)25(27-23)37-15-16-7-6-10-18(13-16)30(32)33/h6-7,10-14,17H,3-5,8-9,15H2,1-2H3

InChI Key

KKGHYGLIAFIDGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.71

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.072

Distribution Coefficient, logD

6.072

Water Solubility, LogSw

-5.33

Polar Surface Area

75.042

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with A0018769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0018769?
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What is the minimum amount of A0018769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0018769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0018769
  • 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 A0018769 available by request