1246-0596 Screening compound: (2E)-3-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

1246-0596 Screening compound: (2E)-3-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
1246-0596 Screening compound: (2E)-3-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1246-0596
(2E)-3-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)-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

1246-0596

Molecular Formula

C19H13FN2OS (C19 H13 FN2 OS)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1csc(/C(/C#N)=C/c2cc(F)ccc2)n1

InChI

InChI=1S/C19H13FN2OS/c1-23-17-7-5-14(6-8-17)18-12-24-19(22-18)15(11-21)9-13-3-2-4-16(20)10-13/h2-10,12H,1H3

InChI Key

NWFWICMZFNKWOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.442

Distribution Coefficient, logD

5.442

Water Solubility, LogSw

-5.66

Polar Surface Area

34.301

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

1246-0596 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 1246-0596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1246-0596?
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What is the minimum amount of 1246-0596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1246-0596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1246-0596
  • 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 1246-0596 available by request