D009-0049 Screening compound: (2Z)-2-[(2-chlorophenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-(3-hydroxypropyl)prop-2-enamide

D009-0049 Screening compound: (2Z)-2-[(2-chlorophenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-(3-hydroxypropyl)prop-2-enamide
D009-0049 Screening compound: (2Z)-2-[(2-chlorophenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-(3-hydroxypropyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0049
(2Z)-2-[(2-chlorophenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-(3-hydroxypropyl)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

D009-0049

Molecular Formula

C23H25ClN4O5S (C23 H25 ClN4 O5 S)

Compound Name

(2Z)-2-[(2-chlorophenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-(3-hydroxypropyl)prop-2-enamide

IUPAC name

(2Z)-2-[(2-chlorophenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-(3-hydroxypropyl)prop-2-enamide

SMILES

CN(C)S(n1c(cccc2)c2c(/C=C(/C(NCCCO)=O)\NC(c(cccc2)c2Cl)=O)c1)(=O)=O

InChI

InChI=1S/C23H25ClN4O5S/c1-27(2)34(32,33)28-15-16(17-8-4-6-11-21(17)28)14-20(23(31)25-12-7-13-29)26-22(30)18-9-3-5-10-19(18)24/h3-6,8-11,14-15,29H,7,12-13H2,1-2H3,(H,25,31)(H,26,30)

InChI Key

YQHNSPHKYRTMIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.99

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.642

Distribution Coefficient, logD

-0.719

Water Solubility, LogSw

-2.86

Polar Surface Area

96.696

Acid Dissociation Constant (pKa)

5.04

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D009-0049 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 D009-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0049?
Check Price and Availability of D009-0049, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D009-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0049
  • 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 D009-0049 available by request