D009-0054 Screening compound: (2Z)-2-[(2-chlorophenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

D009-0054 Screening compound: (2Z)-2-[(2-chlorophenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
D009-0054 Screening compound: (2Z)-2-[(2-chlorophenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0054
(2Z)-2-[(2-chlorophenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]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

D009-0054

Molecular Formula

C30H28ClN5O4S (C30 H28 ClN5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C)S(n1c(cccc2)c2c(/C=C(/C(NCCc2c[nH]c3c2cccc3)=O)\NC(c(cccc2)c2Cl)=O)c1)(=O)=O

InChI

InChI=1S/C30H28ClN5O4S/c1-35(2)41(39,40)36-19-21(23-10-5-8-14-28(23)36)17-27(34-29(37)24-11-3-6-12-25(24)31)30(38)32-16-15-20-18-33-26-13-7-4-9-22(20)26/h3-14,17-19,33H,15-16H2,1-2H3,(H,32,38)(H,34,37)

InChI Key

OBGTUZWMUAQYMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10473633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

590.1

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.155

Distribution Coefficient, logD

1.814

Water Solubility, LogSw

-4.44

Polar Surface Area

89.640

Acid Dissociation Constant (pKa)

5.06

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

D009-0054 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D009-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0054?
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What is the minimum amount of D009-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0054
  • 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 D009-0054 available by request