1309-2100 Screening compound: (2E)-2-[(4-chlorophenyl)formamido]-N-cyclohexyl-3-(furan-2-yl)prop-2-enamide

1309-2100 Screening compound: (2E)-2-[(4-chlorophenyl)formamido]-N-cyclohexyl-3-(furan-2-yl)prop-2-enamide
1309-2100 Screening compound: (2E)-2-[(4-chlorophenyl)formamido]-N-cyclohexyl-3-(furan-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-2100
(2E)-2-[(4-chlorophenyl)formamido]-N-cyclohexyl-3-(furan-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

1309-2100

Molecular Formula

C20H21ClN2O3 (C20 H21 ClN2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C(/NC(c(cc1)ccc1Cl)=O)=C\c1ccco1)NC1CCCCC1

InChI

InChI=1S/C20H21ClN2O3/c21-15-10-8-14(9-11-15)19(24)23-18(13-17-7-4-12-26-17)20(25)22-16-5-2-1-3-6-16/h4,7-13,16H,1-3,5-6H2,(H,22,25)(H,23,24)

InChI Key

OFUZOLSFYPHURN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00571899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.060

Distribution Coefficient, logD

3.021

Water Solubility, LogSw

-4.52

Polar Surface Area

54.050

Acid Dissociation Constant (pKa)

6.40

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

1309-2100 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 1309-2100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-2100?
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What is the minimum amount of 1309-2100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-2100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-2100
  • 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 1309-2100 available by request