D256-0087 Screening compound: 1-methanesulfonyl-N-(4-sulfamoylphenyl)-2,3-dihydro-1H-indole-5-carboxamide

D256-0087 Screening compound: 1-methanesulfonyl-N-(4-sulfamoylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
D256-0087 Screening compound: 1-methanesulfonyl-N-(4-sulfamoylphenyl)-2,3-dihydro-1H-indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D256-0087
1-methanesulfonyl-N-(4-sulfamoylphenyl)-2,3-dihydro-1H-indole-5-carboxamide

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

D256-0087

Molecular Formula

C16H17N3O5S2 (C16 H17 N3 O5 S2)

Compound Name

1-methanesulfonyl-N-(4-sulfamoylphenyl)-2,3-dihydro-1H-indole-5-carboxamide

IUPAC name

1-methanesulfonyl-N-(4-sulfamoylphenyl)-23-dihydro-1H-indole-5-carboxamide

SMILES

CS(N(CC1)c(cc2)c1cc2C(Nc(cc1)ccc1S(N)(=O)=O)=O)(=O)=O

InChI

InChI=1S/C16H17N3O5S2/c1-25(21,22)19-9-8-11-10-12(2-7-15(11)19)16(20)18-13-3-5-14(6-4-13)26(17,23)24/h2-7,10H,8-9H2,1H3,(H,18,20)(H2,17,23,24)

InChI Key

OGCMTKYVDCIRME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09159139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.686

Distribution Coefficient, logD

0.594

Water Solubility, LogSw

-2.28

Polar Surface Area

105.215

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D256-0087 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Targeted Diversity Library (40567 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D256-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D256-0087?
Check Price and Availability of D256-0087, 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 D256-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D256-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D256-0087
  • 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 D256-0087 available by request