D009-0050 Screening compound: (2Z)-2-[(2-chlorophenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-(propan-2-yl)prop-2-enamide

D009-0050 Screening compound: (2Z)-2-[(2-chlorophenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-(propan-2-yl)prop-2-enamide
D009-0050 Screening compound: (2Z)-2-[(2-chlorophenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-(propan-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0050
(2Z)-2-[(2-chlorophenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-(propan-2-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

D009-0050

Molecular Formula

C23H25ClN4O4S (C23 H25 ClN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(/C(/NC(c(cccc1)c1Cl)=O)=C/c(c1c2cccc1)cn2S(N(C)C)(=O)=O)=O

InChI

InChI=1S/C23H25ClN4O4S/c1-15(2)25-23(30)20(26-22(29)18-10-5-7-11-19(18)24)13-16-14-28(33(31,32)27(3)4)21-12-8-6-9-17(16)21/h5-15H,1-4H3,(H,25,30)(H,26,29)

InChI Key

VWQULNAFVFDYMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.99

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.959

Distribution Coefficient, logD

0.618

Water Solubility, LogSw

-3.84

Polar Surface Area

79.174

Acid Dissociation Constant (pKa)

5.06

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D009-0050 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D009-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0050?
Check Price and Availability of D009-0050, 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 D009-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0050
  • 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 D009-0050 available by request