1246-0716 Screening compound: (2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile

1246-0716 Screening compound: (2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile
1246-0716 Screening compound: (2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1246-0716
(2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)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

1246-0716

Molecular Formula

C18H10ClN3O2S (C18 H10 ClN3 O2 S)

Compound Name

(2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile

IUPAC name

(2E)-2-[4-(4-chlorophenyl)-13-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile

SMILES

N#C/C(/c1nc(-c(cc2)ccc2Cl)cs1)=C\c1cc([N+]([O-])=O)ccc1

InChI

InChI=1S/C18H10ClN3O2S/c19-15-6-4-13(5-7-15)17-11-25-18(21-17)14(10-20)8-12-2-1-3-16(9-12)22(23)24/h1-9,11H

InChI Key

FBDMAOXVDSRSOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.840

Distribution Coefficient, logD

5.840

Water Solubility, LogSw

-6.44

Polar Surface Area

60.139

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1246-0716 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 1246-0716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1246-0716?
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What is the minimum amount of 1246-0716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1246-0716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1246-0716
  • 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 1246-0716 available by request