D009-0052 Screening compound: (2Z)-2-[(2-chlorophenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-[(furan-2-yl)methyl]prop-2-enamide

D009-0052 Screening compound: (2Z)-2-[(2-chlorophenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-[(furan-2-yl)methyl]prop-2-enamide
D009-0052 Screening compound: (2Z)-2-[(2-chlorophenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-[(furan-2-yl)methyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0052
(2Z)-2-[(2-chlorophenyl)formamido]-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-N-[(furan-2-yl)methyl]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

D009-0052

Molecular Formula

C25H23ClN4O5S (C25 H23 ClN4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C)S(n1c(cccc2)c2c(/C=C(/C(NCc2ccco2)=O)\NC(c(cccc2)c2Cl)=O)c1)(=O)=O

InChI

InChI=1S/C25H23ClN4O5S/c1-29(2)36(33,34)30-16-17(19-9-4-6-12-23(19)30)14-22(25(32)27-15-18-8-7-13-35-18)28-24(31)20-10-3-5-11-21(20)26/h3-14,16H,15H2,1-2H3,(H,27,32)(H,28,31)

InChI Key

MNQLXQXXHUFOFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.621

Distribution Coefficient, logD

1.569

Water Solubility, LogSw

-3.94

Polar Surface Area

87.677

Acid Dissociation Constant (pKa)

5.35

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

D009-0052 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 D009-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0052?
Check Price and Availability of D009-0052, 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 D009-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0052
  • 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 D009-0052 available by request