2681-3653 Screening compound: (2Z)-N-(3-chloro-4-methylphenyl)-3-(3-nitrophenyl)-2-[(thiophen-2-yl)formamido]prop-2-enamide

2681-3653 Screening compound: (2Z)-N-(3-chloro-4-methylphenyl)-3-(3-nitrophenyl)-2-[(thiophen-2-yl)formamido]prop-2-enamide
2681-3653 Screening compound: (2Z)-N-(3-chloro-4-methylphenyl)-3-(3-nitrophenyl)-2-[(thiophen-2-yl)formamido]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2681-3653
(2Z)-N-(3-chloro-4-methylphenyl)-3-(3-nitrophenyl)-2-[(thiophen-2-yl)formamido]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

2681-3653

Molecular Formula

C21H16ClN3O4S (C21 H16 ClN3 O4 S)

Compound Name

(2Z)-N-(3-chloro-4-methylphenyl)-3-(3-nitrophenyl)-2-[(thiophen-2-yl)formamido]prop-2-enamide

IUPAC name

(2Z)-N-(3-chloro-4-methylphenyl)-3-(3-nitrophenyl)-2-[(thiophen-2-yl)formamido]prop-2-enamide

SMILES

Cc(ccc(NC(/C(/NC(c1cccs1)=O)=C/c1cc([N+]([O-])=O)ccc1)=O)c1)c1Cl

InChI

InChI=1S/C21H16ClN3O4S/c1-13-7-8-15(12-17(13)22)23-20(26)18(24-21(27)19-6-3-9-30-19)11-14-4-2-5-16(10-14)25(28)29/h2-12H,1H3,(H,23,26)(H,24,27)

InChI Key

YFRQUOOEZIXVDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.89

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

5.386

Distribution Coefficient, logD

5.328

Water Solubility, LogSw

-6.07

Polar Surface Area

79.654

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

2681-3653 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 2681-3653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2681-3653?
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What is the minimum amount of 2681-3653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2681-3653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2681-3653
  • 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 2681-3653 available by request