D009-0144 Screening compound: (2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,4-dimethoxyphenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]prop-2-enamide

D009-0144 Screening compound: (2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,4-dimethoxyphenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]prop-2-enamide
D009-0144 Screening compound: (2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,4-dimethoxyphenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0144
(2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,4-dimethoxyphenyl)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

D009-0144

Molecular Formula

C32H36N4O8S (C32 H36 N4 O8 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C32H36N4O8S/c1-35(2)45(39,40)36-20-23(24-9-7-8-10-26(24)36)18-25(34-31(37)22-12-14-28(42-4)30(19-22)44-6)32(38)33-16-15-21-11-13-27(41-3)29(17-21)43-5/h7-14,17-20H,15-16H2,1-6H3,(H,33,38)(H,34,37)

InChI Key

JZEDOPYHTXSOCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06240883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

636.73

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.490

Distribution Coefficient, logD

1.880

Water Solubility, LogSw

-3.09

Polar Surface Area

110.291

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D009-0144 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 D009-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0144?
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What is the minimum amount of D009-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0144
  • 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 D009-0144 available by request