2681-3529 Screening compound: (2Z)-2-[(2-chloro-4-fluorophenyl)formamido]-N-(2,4-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide

2681-3529 Screening compound: (2Z)-2-[(2-chloro-4-fluorophenyl)formamido]-N-(2,4-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
2681-3529 Screening compound: (2Z)-2-[(2-chloro-4-fluorophenyl)formamido]-N-(2,4-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2681-3529
(2Z)-2-[(2-chloro-4-fluorophenyl)formamido]-N-(2,4-dimethylphenyl)-3-(3-nitrophenyl)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

2681-3529

Molecular Formula

C24H19ClFN3O4 (C24 H19 ClFN3 O4)

Compound Name

(2Z)-2-[(2-chloro-4-fluorophenyl)formamido]-N-(2,4-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide

IUPAC name

(2Z)-2-[(2-chloro-4-fluorophenyl)formamido]-N-(24-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide

SMILES

Cc(cc1)cc(C)c1NC(/C(/NC(c(ccc(F)c1)c1Cl)=O)=C/c1cc([N+]([O-])=O)ccc1)=O

InChI

InChI=1S/C24H19ClFN3O4/c1-14-6-9-21(15(2)10-14)27-24(31)22(12-16-4-3-5-18(11-16)29(32)33)28-23(30)19-8-7-17(26)13-20(19)25/h3-13H,1-2H3,(H,27,31)(H,28,30)

InChI Key

UWPWLEKMSHISGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.431

Distribution Coefficient, logD

4.565

Water Solubility, LogSw

-6.07

Polar Surface Area

77.938

Acid Dissociation Constant (pKa)

6.60

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

2681-3529 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2681-3529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2681-3529?
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What is the minimum amount of 2681-3529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2681-3529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2681-3529
  • 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 2681-3529 available by request