D009-0098 Screening compound: (2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-2-[(2-methoxyphenyl)formamido]prop-2-enamide

D009-0098 Screening compound: (2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-2-[(2-methoxyphenyl)formamido]prop-2-enamide
D009-0098 Screening compound: (2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-2-[(2-methoxyphenyl)formamido]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0098
(2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-2-[(2-methoxyphenyl)formamido]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

D009-0098

Molecular Formula

C31H34N4O7S (C31 H34 N4 O7 S)

Compound Name

(2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-2-[(2-methoxyphenyl)formamido]prop-2-enamide

IUPAC name

(2Z)-N-[2-(34-dimethoxyphenyl)ethyl]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-2-[(2-methoxyphenyl)formamido]prop-2-enamide

SMILES

CN(C)S(n1c(cccc2)c2c(/C=C(/C(NCCc(cc2)cc(OC)c2OC)=O)\NC(c(cccc2)c2OC)=O)c1)(=O)=O

InChI

InChI=1S/C31H34N4O7S/c1-34(2)43(38,39)35-20-22(23-10-6-8-12-26(23)35)19-25(33-30(36)24-11-7-9-13-27(24)40-3)31(37)32-17-16-21-14-15-28(41-4)29(18-21)42-5/h6-15,18-20H,16-17H2,1-5H3,(H,32,37)(H,33,36)

InChI Key

YRIWAXVUHYMKRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

606.7

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.691

Distribution Coefficient, logD

0.008

Water Solubility, LogSw

-3.33

Polar Surface Area

102.661

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.60

D009-0098 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 D009-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0098?
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What is the minimum amount of D009-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0098
  • 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 D009-0098 available by request