2681-3485 Screening compound: (2Z)-N-(3-chloro-4-fluorophenyl)-2-[(2-fluorophenyl)formamido]-3-(3-nitrophenyl)prop-2-enamide

2681-3485 Screening compound: (2Z)-N-(3-chloro-4-fluorophenyl)-2-[(2-fluorophenyl)formamido]-3-(3-nitrophenyl)prop-2-enamide
2681-3485 Screening compound: (2Z)-N-(3-chloro-4-fluorophenyl)-2-[(2-fluorophenyl)formamido]-3-(3-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2681-3485
(2Z)-N-(3-chloro-4-fluorophenyl)-2-[(2-fluorophenyl)formamido]-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

2681-3485

Molecular Formula

C22H14ClF2N3O4 (C22 H14 ClF2 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cccc(/C=C(/C(Nc(cc2)cc(Cl)c2F)=O)\NC(c(cccc2)c2F)=O)c1)=O

InChI

InChI=1S/C22H14ClF2N3O4/c23-17-12-14(8-9-19(17)25)26-22(30)20(11-13-4-3-5-15(10-13)28(31)32)27-21(29)16-6-1-2-7-18(16)24/h1-12H,(H,26,30)(H,27,29)

InChI Key

BSDBTAPOZMDUAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.82

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

4.797

Distribution Coefficient, logD

3.952

Water Solubility, LogSw

-5.09

Polar Surface Area

78.636

Acid Dissociation Constant (pKa)

6.62

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2681-3485 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 2681-3485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2681-3485?
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What is the minimum amount of 2681-3485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2681-3485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2681-3485
  • 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 2681-3485 available by request