1502-1136 Screening compound: (2E)-2-[(2,4-dichlorophenyl)formamido]-N-[(furan-2-yl)methyl]-3-phenylprop-2-enamide

1502-1136 Screening compound: (2E)-2-[(2,4-dichlorophenyl)formamido]-N-[(furan-2-yl)methyl]-3-phenylprop-2-enamide
1502-1136 Screening compound: (2E)-2-[(2,4-dichlorophenyl)formamido]-N-[(furan-2-yl)methyl]-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1502-1136
(2E)-2-[(2,4-dichlorophenyl)formamido]-N-[(furan-2-yl)methyl]-3-phenylprop-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

1502-1136

Molecular Formula

C21H16Cl2N2O3 (C21 H16 Cl2 N2 O3)

Compound Name

(2E)-2-[(2,4-dichlorophenyl)formamido]-N-[(furan-2-yl)methyl]-3-phenylprop-2-enamide

IUPAC name

(2E)-2-[(24-dichlorophenyl)formamido]-N-[(furan-2-yl)methyl]-3-phenylprop-2-enamide

SMILES

O=C(/C(/NC(c(ccc(Cl)c1)c1Cl)=O)=C\c1ccccc1)NCc1ccco1

InChI

InChI=1S/C21H16Cl2N2O3/c22-15-8-9-17(18(23)12-15)20(26)25-19(11-14-5-2-1-3-6-14)21(27)24-13-16-7-4-10-28-16/h1-12H,13H2,(H,24,27)(H,25,26)

InChI Key

TXEITYYTOVWJGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00680676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.878

Distribution Coefficient, logD

2.306

Water Solubility, LogSw

-5.15

Polar Surface Area

54.325

Acid Dissociation Constant (pKa)

4.83

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

1502-1136 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1502-1136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1502-1136?
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What is the minimum amount of 1502-1136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1502-1136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1502-1136
  • 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 1502-1136 available by request