2681-3500 Screening compound: (2Z)-N-(3-chloro-4-fluorophenyl)-2-[(2-methoxyphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamide

2681-3500 Screening compound: (2Z)-N-(3-chloro-4-fluorophenyl)-2-[(2-methoxyphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamide
2681-3500 Screening compound: (2Z)-N-(3-chloro-4-fluorophenyl)-2-[(2-methoxyphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2681-3500
(2Z)-N-(3-chloro-4-fluorophenyl)-2-[(2-methoxyphenyl)formamido]-3-(4-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

2681-3500

Molecular Formula

C23H17ClFN3O5 (C23 H17 ClFN3 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1C(N/C(/C(Nc(cc1)cc(Cl)c1F)=O)=C\c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C23H17ClFN3O5/c1-33-21-5-3-2-4-17(21)22(29)27-20(12-14-6-9-16(10-7-14)28(31)32)23(30)26-15-8-11-19(25)18(24)13-15/h2-13H,1H3,(H,26,30)(H,27,29)

InChI Key

DNKXSFYQCXRZBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.86

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.756

Distribution Coefficient, logD

3.912

Water Solubility, LogSw

-5.03

Polar Surface Area

86.266

Acid Dissociation Constant (pKa)

6.62

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

2681-3500 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 2681-3500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2681-3500?
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What is the minimum amount of 2681-3500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2681-3500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2681-3500
  • 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 2681-3500 available by request