D009-0169 Screening compound: (2Z)-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-[2-(morpholin-4-yl)ethyl]-2-[(3,4,5-trimethoxyphenyl)formamido]prop-2-enamide

D009-0169 Screening compound: (2Z)-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-[2-(morpholin-4-yl)ethyl]-2-[(3,4,5-trimethoxyphenyl)formamido]prop-2-enamide
D009-0169 Screening compound: (2Z)-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-[2-(morpholin-4-yl)ethyl]-2-[(3,4,5-trimethoxyphenyl)formamido]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0169
(2Z)-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-[2-(morpholin-4-yl)ethyl]-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

D009-0169

Molecular Formula

C29H37N5O8S (C29 H37 N5 O8 S)

Compound Name

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

IUPAC name

(2Z)-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-[2-(morpholin-4-yl)ethyl]-2-[(345-trimethoxyphenyl)formamido]prop-2-enamide

SMILES

CN(C)S(n1c(cccc2)c2c(/C=C(/C(NCCN2CCOCC2)=O)\NC(c(cc2OC)cc(OC)c2OC)=O)c1)(=O)=O

InChI

InChI=1S/C29H37N5O8S/c1-32(2)43(37,38)34-19-21(22-8-6-7-9-24(22)34)16-23(29(36)30-10-11-33-12-14-42-15-13-33)31-28(35)20-17-25(39-3)27(41-5)26(18-20)40-4/h6-9,16-19H,10-15H2,1-5H3,(H,30,36)(H,31,35)

InChI Key

AUNCKOIFHRFCLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10473729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

615.71

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

1.268

Distribution Coefficient, logD

0.952

Water Solubility, LogSw

-2.47

Polar Surface Area

114.638

Acid Dissociation Constant (pKa)

7.50

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

D009-0169 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D009-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D009-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0169
  • 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 D009-0169 available by request