D009-0171 Screening compound: (2Z)-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]-2-[(3,4,5-trimethoxyphenyl)formamido]prop-2-enamide

D009-0171 Screening compound: (2Z)-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]-2-[(3,4,5-trimethoxyphenyl)formamido]prop-2-enamide
D009-0171 Screening compound: (2Z)-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]-2-[(3,4,5-trimethoxyphenyl)formamido]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0171
(2Z)-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]-2-[(3,4,5-trimethoxyphenyl)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

D009-0171

Molecular Formula

C29H34N6O7S (C29 H34 N6 O7 S)

Compound Name

(2Z)-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]-2-[(3,4,5-trimethoxyphenyl)formamido]prop-2-enamide

IUPAC name

(2Z)-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]-2-[(345-trimethoxyphenyl)formamido]prop-2-enamide

SMILES

CN(C)S(n1c(cccc2)c2c(/C=C(/C(NCCCn2cncc2)=O)\NC(c(cc2OC)cc(OC)c2OC)=O)c1)(=O)=O

InChI

InChI=1S/C29H34N6O7S/c1-33(2)43(38,39)35-18-21(22-9-6-7-10-24(22)35)15-23(29(37)31-11-8-13-34-14-12-30-19-34)32-28(36)20-16-25(40-3)27(42-5)26(17-20)41-4/h6-7,9-10,12,14-19H,8,11,13H2,1-5H3,(H,31,37)(H,32,36)

InChI Key

CLRZDXDWUHVWOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

610.69

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

1.443

Distribution Coefficient, logD

0.947

Water Solubility, LogSw

-2.28

Polar Surface Area

115.548

Acid Dissociation Constant (pKa)

7.50

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

D009-0171 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 D009-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0171?
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What is the minimum amount of D009-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0171
  • 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 D009-0171 available by request