D009-0051 Screening compound: (2Z)-N-benzyl-2-[(2-chlorophenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]prop-2-enamide

D009-0051 Screening compound: (2Z)-N-benzyl-2-[(2-chlorophenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]prop-2-enamide
D009-0051 Screening compound: (2Z)-N-benzyl-2-[(2-chlorophenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0051
(2Z)-N-benzyl-2-[(2-chlorophenyl)formamido]-3-[1-(dimethylsulfamoyl)-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

D009-0051

Molecular Formula

C27H25ClN4O4S (C27 H25 ClN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C)S(n1c(cccc2)c2c(/C=C(/C(NCc2ccccc2)=O)\NC(c(cccc2)c2Cl)=O)c1)(=O)=O

InChI

InChI=1S/C27H25ClN4O4S/c1-31(2)37(35,36)32-18-20(21-12-7-9-15-25(21)32)16-24(27(34)29-17-19-10-4-3-5-11-19)30-26(33)22-13-6-8-14-23(22)28/h3-16,18H,17H2,1-2H3,(H,29,34)(H,30,33)

InChI Key

LBPFAKJOWCBXEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.04

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.870

Distribution Coefficient, logD

1.892

Water Solubility, LogSw

-4.27

Polar Surface Area

79.928

Acid Dissociation Constant (pKa)

5.43

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D009-0051 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 D009-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0051?
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What is the minimum amount of D009-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0051
  • 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 D009-0051 available by request