1502-1159 Screening compound: (2E)-N-(2-methoxyethyl)-2-[(4-methylphenyl)formamido]-3-(thiophen-2-yl)prop-2-enamide

1502-1159 Screening compound: (2E)-N-(2-methoxyethyl)-2-[(4-methylphenyl)formamido]-3-(thiophen-2-yl)prop-2-enamide
1502-1159 Screening compound: (2E)-N-(2-methoxyethyl)-2-[(4-methylphenyl)formamido]-3-(thiophen-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1502-1159
(2E)-N-(2-methoxyethyl)-2-[(4-methylphenyl)formamido]-3-(thiophen-2-yl)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

1502-1159

Molecular Formula

C18H20N2O3S (C18 H20 N2 O3 S)

Compound Name

(2E)-N-(2-methoxyethyl)-2-[(4-methylphenyl)formamido]-3-(thiophen-2-yl)prop-2-enamide

IUPAC name

(2E)-N-(2-methoxyethyl)-2-[(4-methylphenyl)formamido]-3-(thiophen-2-yl)prop-2-enamide

SMILES

Cc(cc1)ccc1C(N/C(/C(NCCOC)=O)=C/c1cccs1)=O

InChI

InChI=1S/C18H20N2O3S/c1-13-5-7-14(8-6-13)17(21)20-16(12-15-4-3-11-24-15)18(22)19-9-10-23-2/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)(H,20,21)

InChI Key

IBEQYDLDSCPLDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00680699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.518

Distribution Coefficient, logD

2.208

Water Solubility, LogSw

-2.85

Polar Surface Area

56.050

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

1502-1159 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1502-1159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1502-1159?
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What is the minimum amount of 1502-1159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1502-1159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1502-1159
  • 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 1502-1159 available by request