D009-0279 Screening compound: (2Z)-N-benzyl-2-[(2-chlorophenyl)formamido]-3-(1-ethyl-1H-indol-3-yl)prop-2-enamide

D009-0279 Screening compound: (2Z)-N-benzyl-2-[(2-chlorophenyl)formamido]-3-(1-ethyl-1H-indol-3-yl)prop-2-enamide
D009-0279 Screening compound: (2Z)-N-benzyl-2-[(2-chlorophenyl)formamido]-3-(1-ethyl-1H-indol-3-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0279
(2Z)-N-benzyl-2-[(2-chlorophenyl)formamido]-3-(1-ethyl-1H-indol-3-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

D009-0279

Molecular Formula

C27H24ClN3O2 (C27 H24 ClN3 O2)

Compound Name

(2Z)-N-benzyl-2-[(2-chlorophenyl)formamido]-3-(1-ethyl-1H-indol-3-yl)prop-2-enamide

IUPAC name

(2Z)-N-benzyl-2-[(2-chlorophenyl)formamido]-3-(1-ethyl-1H-indol-3-yl)prop-2-enamide

SMILES

CCn1c(cccc2)c2c(/C=C(/C(NCc2ccccc2)=O)\NC(c(cccc2)c2Cl)=O)c1

InChI

InChI=1S/C27H24ClN3O2/c1-2-31-18-20(21-12-7-9-15-25(21)31)16-24(27(33)29-17-19-10-4-3-5-11-19)30-26(32)22-13-6-8-14-23(22)28/h3-16,18H,2,17H2,1H3,(H,29,33)(H,30,32)

InChI Key

VXISSUALCDYIOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.96

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.817

Distribution Coefficient, logD

3.998

Water Solubility, LogSw

-4.80

Polar Surface Area

48.305

Acid Dissociation Constant (pKa)

6.65

Base Dissociation Constant (pKb)

2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D009-0279 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 D009-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0279?
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What is the minimum amount of D009-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0279
  • 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 D009-0279 available by request