2681-3499 Screening compound: (2Z)-N-(4-chlorophenyl)-2-[(2-methoxyphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamide

2681-3499 Screening compound: (2Z)-N-(4-chlorophenyl)-2-[(2-methoxyphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamide
2681-3499 Screening compound: (2Z)-N-(4-chlorophenyl)-2-[(2-methoxyphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2681-3499
(2Z)-N-(4-chlorophenyl)-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

2681-3499

Molecular Formula

C23H18ClN3O5 (C23 H18 ClN3 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1C(N/C(/C(Nc(cc1)ccc1Cl)=O)=C\c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C23H18ClN3O5/c1-32-21-5-3-2-4-19(21)22(28)26-20(14-15-6-12-18(13-7-15)27(30)31)23(29)25-17-10-8-16(24)9-11-17/h2-14H,1H3,(H,25,29)(H,26,28)

InChI Key

LRIJEWSIPLBVKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.87

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

4.621

Distribution Coefficient, logD

3.796

Water Solubility, LogSw

-5.07

Polar Surface Area

86.266

Acid Dissociation Constant (pKa)

6.65

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

2681-3499 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 2681-3499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2681-3499?
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What is the minimum amount of 2681-3499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2681-3499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2681-3499
  • 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 2681-3499 available by request