8008-7637 Screening compound: 4-{[(4E)-2-(2-chloro-5-iodophenyl)-5-oxo-4,5-dihydro-1,3-thiazol-4-ylidene]methyl}-2,6-dimethoxyphenyl acetate

8008-7637 Screening compound: 4-{[(4E)-2-(2-chloro-5-iodophenyl)-5-oxo-4,5-dihydro-1,3-thiazol-4-ylidene]methyl}-2,6-dimethoxyphenyl acetate
8008-7637 Screening compound: 4-{[(4E)-2-(2-chloro-5-iodophenyl)-5-oxo-4,5-dihydro-1,3-thiazol-4-ylidene]methyl}-2,6-dimethoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-7637
4-{[(4E)-2-(2-chloro-5-iodophenyl)-5-oxo-4,5-dihydro-1,3-thiazol-4-ylidene]methyl}-2,6-dimethoxyphenyl acetate

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

8008-7637

Molecular Formula

C20H15ClINO5S (C20 H15 ClINO5 S)

Compound Name

4-{[(4E)-2-(2-chloro-5-iodophenyl)-5-oxo-4,5-dihydro-1,3-thiazol-4-ylidene]methyl}-2,6-dimethoxyphenyl acetate

IUPAC name

4-{[(4E)-2-(2-chloro-5-iodophenyl)-5-oxo-45-dihydro-13-thiazol-4-ylidene]methyl}-26-dimethoxyphenyl acetate

SMILES

CC(Oc(c(OC)cc(/C=C1/N=C(c(cc(cc2)I)c2Cl)SC1=O)c1)c1OC)=O

InChI

InChI=1S/C20H15ClINO5S/c1-10(24)28-18-16(26-2)7-11(8-17(18)27-3)6-15-20(25)29-19(23-15)13-9-12(22)4-5-14(13)21/h4-9H,1-3H3

InChI Key

HEOYJEQGKBDJEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01465156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.77

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.544

Distribution Coefficient, logD

5.544

Water Solubility, LogSw

-6.02

Polar Surface Area

57.848

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

8008-7637 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8008-7637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-7637?
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What is the minimum amount of 8008-7637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-7637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-7637
  • 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 8008-7637 available by request