0670-2451 Screening compound: (2E)-3-(4-fluorophenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]prop-2-enamide

0670-2451 Screening compound: (2E)-3-(4-fluorophenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]prop-2-enamide
0670-2451 Screening compound: (2E)-3-(4-fluorophenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0670-2451
(2E)-3-(4-fluorophenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]prop-2-enamide

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

0670-2451

Molecular Formula

C23H17FN2OS (C23 H17 FN2 OS)

Compound Name

(2E)-3-(4-fluorophenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]prop-2-enamide

IUPAC name

(2E)-3-(4-fluorophenyl)-N-[4-(6-methyl-13-benzothiazol-2-yl)phenyl]prop-2-enamide

SMILES

Cc(cc1)cc2c1nc(-c(cc1)ccc1NC(/C=C/c(cc1)ccc1F)=O)s2

InChI

InChI=1S/C23H17FN2OS/c1-15-2-12-20-21(14-15)28-23(26-20)17-6-10-19(11-7-17)25-22(27)13-5-16-3-8-18(24)9-4-16/h2-14H,1H3,(H,25,27)

InChI Key

ONZLQMYIGKKAAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00858647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.140

Distribution Coefficient, logD

6.140

Water Solubility, LogSw

-5.50

Polar Surface Area

32.565

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

0670-2451 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

PLpro Library (6343 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0670-2451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0670-2451?
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What is the minimum amount of 0670-2451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0670-2451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0670-2451
  • 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 0670-2451 available by request