1246-0773 Screening compound: (2E)-3-(5-nitrofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

1246-0773 Screening compound: (2E)-3-(5-nitrofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
1246-0773 Screening compound: (2E)-3-(5-nitrofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1246-0773
(2E)-3-(5-nitrofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)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

1246-0773

Molecular Formula

C16H9N3O3S (C16 H9 N3 O3 S)

Compound Name

(2E)-3-(5-nitrofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

IUPAC name

(2E)-3-(5-nitrofuran-2-yl)-2-(4-phenyl-13-thiazol-2-yl)prop-2-enenitrile

SMILES

N#C/C(/c1nc(-c2ccccc2)cs1)=C\c1ccc([N+]([O-])=O)o1

InChI

InChI=1S/C16H9N3O3S/c17-9-12(8-13-6-7-15(22-13)19(20)21)16-18-14(10-23-16)11-4-2-1-3-5-11/h1-8,10H

InChI Key

IXXHUEVERWNGPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00395592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.397

Distribution Coefficient, logD

4.397

Water Solubility, LogSw

-4.64

Polar Surface Area

68.588

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1246-0773 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 1246-0773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1246-0773?
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What is the minimum amount of 1246-0773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1246-0773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1246-0773
  • 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 1246-0773 available by request