2628-3226 Screening compound: (2E)-N-(3-acetylphenyl)-2-[(2-chloro-4-methoxyphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamide

2628-3226 Screening compound: (2E)-N-(3-acetylphenyl)-2-[(2-chloro-4-methoxyphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamide
2628-3226 Screening compound: (2E)-N-(3-acetylphenyl)-2-[(2-chloro-4-methoxyphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2628-3226
(2E)-N-(3-acetylphenyl)-2-[(2-chloro-4-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

2628-3226

Molecular Formula

C25H20ClN3O6 (C25 H20 ClN3 O6)

Compound Name

(2E)-N-(3-acetylphenyl)-2-[(2-chloro-4-methoxyphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamide

IUPAC name

(2E)-N-(3-acetylphenyl)-2-[(2-chloro-4-methoxyphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamide

SMILES

CC(c1cccc(NC(/C(/NC(c(ccc(OC)c2)c2Cl)=O)=C\c(cc2)ccc2[N+]([O-])=O)=O)c1)=O

InChI

InChI=1S/C25H20ClN3O6/c1-15(30)17-4-3-5-18(13-17)27-25(32)23(12-16-6-8-19(9-7-16)29(33)34)28-24(31)21-11-10-20(35-2)14-22(21)26/h3-14H,1-2H3,(H,27,32)(H,28,31)

InChI Key

VLDKPDDSIQFTCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01842820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.9

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.563

Distribution Coefficient, logD

4.204

Water Solubility, LogSw

-4.88

Polar Surface Area

100.006

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

2628-3226 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 2628-3226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2628-3226?
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What is the minimum amount of 2628-3226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2628-3226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2628-3226
  • 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 2628-3226 available by request