1080-0267 Screening compound: (2E)-2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enenitrile

1080-0267 Screening compound: (2E)-2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enenitrile
1080-0267 Screening compound: (2E)-2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1080-0267
(2E)-2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enenitrile

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

1080-0267

Molecular Formula

C20H15ClN2O2S (C20 H15 ClN2 O2 S)

Compound Name

(2E)-2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enenitrile

IUPAC name

(2E)-2-[4-(5-chloro-2-methoxyphenyl)-13-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enenitrile

SMILES

COc1ccc(/C=C(/c2nc(-c(cc(cc3)Cl)c3OC)cs2)\C#N)cc1

InChI

InChI=1S/C20H15ClN2O2S/c1-24-16-6-3-13(4-7-16)9-14(11-22)20-23-18(12-26-20)17-10-15(21)5-8-19(17)25-2/h3-10,12H,1-2H3

InChI Key

SFYWYLSTAIUVSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00713371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.632

Distribution Coefficient, logD

5.632

Water Solubility, LogSw

-6.25

Polar Surface Area

41.931

Acid Dissociation Constant (pKa)

32.50

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

1080-0267 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1080-0267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1080-0267?
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What is the minimum amount of 1080-0267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1080-0267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1080-0267
  • 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 1080-0267 available by request