1309-2096 Screening compound: (2E)-2-[(4-chlorophenyl)formamido]-3-(furan-2-yl)-N-(2-methoxyethyl)prop-2-enamide

1309-2096 Screening compound: (2E)-2-[(4-chlorophenyl)formamido]-3-(furan-2-yl)-N-(2-methoxyethyl)prop-2-enamide
1309-2096 Screening compound: (2E)-2-[(4-chlorophenyl)formamido]-3-(furan-2-yl)-N-(2-methoxyethyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-2096
(2E)-2-[(4-chlorophenyl)formamido]-3-(furan-2-yl)-N-(2-methoxyethyl)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

1309-2096

Molecular Formula

C17H17ClN2O4 (C17 H17 ClN2 O4)

Compound Name

(2E)-2-[(4-chlorophenyl)formamido]-3-(furan-2-yl)-N-(2-methoxyethyl)prop-2-enamide

IUPAC name

(2E)-2-[(4-chlorophenyl)formamido]-3-(furan-2-yl)-N-(2-methoxyethyl)prop-2-enamide

SMILES

COCCNC(/C(/NC(c(cc1)ccc1Cl)=O)=C\c1ccco1)=O

InChI

InChI=1S/C17H17ClN2O4/c1-23-10-8-19-17(22)15(11-14-3-2-9-24-14)20-16(21)12-4-6-13(18)7-5-12/h2-7,9,11H,8,10H2,1H3,(H,19,22)(H,20,21)

InChI Key

IYDKZTQJGUYUDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00680813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.285

Distribution Coefficient, logD

1.228

Water Solubility, LogSw

-3.24

Polar Surface Area

62.781

Acid Dissociation Constant (pKa)

6.38

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

1309-2096 in Drug Discovery

Included in Screening Libraries

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 1309-2096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-2096?
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What is the minimum amount of 1309-2096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-2096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-2096
  • 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 1309-2096 available by request