D009-0034 Screening compound: (2Z)-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-2-[(2-fluorophenyl)formamido]-N-[3-(1H-imidazol-1-yl)propyl]prop-2-enamide

D009-0034 Screening compound: (2Z)-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-2-[(2-fluorophenyl)formamido]-N-[3-(1H-imidazol-1-yl)propyl]prop-2-enamide
D009-0034 Screening compound: (2Z)-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-2-[(2-fluorophenyl)formamido]-N-[3-(1H-imidazol-1-yl)propyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0034
(2Z)-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-2-[(2-fluorophenyl)formamido]-N-[3-(1H-imidazol-1-yl)propyl]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

D009-0034

Molecular Formula

C26H27FN6O4S (C26 H27 FN6 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C)S(n1c(cccc2)c2c(/C=C(/C(NCCCn2cncc2)=O)\NC(c(cccc2)c2F)=O)c1)(=O)=O

InChI

InChI=1S/C26H27FN6O4S/c1-31(2)38(36,37)33-17-19(20-8-4-6-11-24(20)33)16-23(30-25(34)21-9-3-5-10-22(21)27)26(35)29-12-7-14-32-15-13-28-18-32/h3-6,8-11,13,15-18H,7,12,14H2,1-2H3,(H,29,35)(H,30,34)

InChI Key

ZHZPXAHUUBLDFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.646

Distribution Coefficient, logD

-0.716

Water Solubility, LogSw

-2.42

Polar Surface Area

92.570

Acid Dissociation Constant (pKa)

5.04

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

D009-0034 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D009-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0034?
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What is the minimum amount of D009-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0034
  • 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 D009-0034 available by request