2628-3152 Screening compound: (2E)-2-[(2-chloro-4-methoxyphenyl)formamido]-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide

2628-3152 Screening compound: (2E)-2-[(2-chloro-4-methoxyphenyl)formamido]-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
2628-3152 Screening compound: (2E)-2-[(2-chloro-4-methoxyphenyl)formamido]-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2628-3152
(2E)-2-[(2-chloro-4-methoxyphenyl)formamido]-N-(3,5-dimethylphenyl)-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

2628-3152

Molecular Formula

C25H22ClN3O5 (C25 H22 ClN3 O5)

Compound Name

(2E)-2-[(2-chloro-4-methoxyphenyl)formamido]-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide

IUPAC name

(2E)-2-[(2-chloro-4-methoxyphenyl)formamido]-N-(35-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide

SMILES

Cc1cc(NC(/C(/NC(c(ccc(OC)c2)c2Cl)=O)=C\c2cc([N+]([O-])=O)ccc2)=O)cc(C)c1

InChI

InChI=1S/C25H22ClN3O5/c1-15-9-16(2)11-18(10-15)27-25(31)23(13-17-5-4-6-19(12-17)29(32)33)28-24(30)21-8-7-20(34-3)14-22(21)26/h4-14H,1-3H3,(H,27,31)(H,28,30)

InChI Key

FVDPYMJCRXEJHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01842752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.92

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

5.397

Distribution Coefficient, logD

4.935

Water Solubility, LogSw

-6.13

Polar Surface Area

86.179

Acid Dissociation Constant (pKa)

7.12

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

2628-3152 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 2628-3152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2628-3152?
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What is the minimum amount of 2628-3152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2628-3152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2628-3152
  • 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 2628-3152 available by request