1246-0709 Screening compound: (2E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(2-nitrophenyl)prop-2-enenitrile

1246-0709 Screening compound: (2E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(2-nitrophenyl)prop-2-enenitrile
1246-0709 Screening compound: (2E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(2-nitrophenyl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1246-0709
(2E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(2-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

1246-0709

Molecular Formula

C18H9Cl2N3O2S (C18 H9 Cl2 N3 O2 S)

Compound Name

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

IUPAC name

(2E)-2-[4-(34-dichlorophenyl)-13-thiazol-2-yl]-3-(2-nitrophenyl)prop-2-enenitrile

SMILES

N#C/C(/c1nc(-c(cc2)cc(Cl)c2Cl)cs1)=C\c(cccc1)c1[N+]([O-])=O

InChI

InChI=1S/C18H9Cl2N3O2S/c19-14-6-5-11(8-15(14)20)16-10-26-18(22-16)13(9-21)7-12-3-1-2-4-17(12)23(24)25/h1-8,10H

InChI Key

WSDWHCDYFRDSRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00366062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.26

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

6.274

Distribution Coefficient, logD

6.274

Water Solubility, LogSw

-6.47

Polar Surface Area

59.838

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 1246-0709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1246-0709?
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What is the minimum amount of 1246-0709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1246-0709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1246-0709
  • 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 1246-0709 available by request