D009-0145 Screening compound: (2Z)-2-[(3,4-dimethoxyphenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

D009-0145 Screening compound: (2Z)-2-[(3,4-dimethoxyphenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
D009-0145 Screening compound: (2Z)-2-[(3,4-dimethoxyphenyl)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 D009-0145
(2Z)-2-[(3,4-dimethoxyphenyl)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

D009-0145

Molecular Formula

C32H33N5O6S (C32 H33 N5 O6 S)

Compound Name

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

IUPAC name

(2Z)-2-[(34-dimethoxyphenyl)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(cc2)cc(OC)c2OC)=O)c1)(=O)=O

InChI

InChI=1S/C32H33N5O6S/c1-36(2)44(40,41)37-20-23(25-10-6-8-12-28(25)37)17-27(35-31(38)21-13-14-29(42-3)30(18-21)43-4)32(39)33-16-15-22-19-34-26-11-7-5-9-24(22)26/h5-14,17-20,34H,15-16H2,1-4H3,(H,33,39)(H,35,38)

InChI Key

VVCNPUUCRTZCGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10473649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

615.71

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.324

Distribution Coefficient, logD

2.714

Water Solubility, LogSw

-3.63

Polar Surface Area

104.901

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D009-0145 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?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
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with D009-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0145?
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What is the minimum amount of D009-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0145
  • 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 D009-0145 available by request