1246-0679 Screening compound: (2E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-iodophenyl)prop-2-enenitrile

1246-0679 Screening compound: (2E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-iodophenyl)prop-2-enenitrile
1246-0679 Screening compound: (2E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-iodophenyl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1246-0679
(2E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-iodophenyl)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

1246-0679

Molecular Formula

C20H15IN2S (C20 H15 IN2 S)

Compound Name

(2E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-iodophenyl)prop-2-enenitrile

IUPAC name

(2E)-2-[4-(24-dimethylphenyl)-13-thiazol-2-yl]-3-(4-iodophenyl)prop-2-enenitrile

SMILES

Cc(cc1)cc(C)c1-c1csc(/C(/C#N)=C/c(cc2)ccc2I)n1

InChI

InChI=1S/C20H15IN2S/c1-13-3-8-18(14(2)9-13)19-12-24-20(23-19)16(11-22)10-15-4-6-17(21)7-5-15/h3-10,12H,1-2H3

InChI Key

ILBPGJQEFGIDEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00811882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.285

Distribution Coefficient, logD

7.285

Water Solubility, LogSw

-5.99

Polar Surface Area

26.757

Acid Dissociation Constant (pKa)

27.78

Base Dissociation Constant (pKb)

-3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

1246-0679 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1246-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1246-0679?
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What is the minimum amount of 1246-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1246-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1246-0679
  • 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 1246-0679 available by request