C300-0065 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2,3-dimethylphenyl)propanamide

C300-0065 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2,3-dimethylphenyl)propanamide
C300-0065 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2,3-dimethylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C300-0065
3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2,3-dimethylphenyl)propanamide

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

C300-0065

Molecular Formula

C23H25BrN2O4S (C23 H25 BrN2 O4 S)

Compound Name

3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2,3-dimethylphenyl)propanamide

IUPAC name

3-[(5-bromo-1-cyclopropanecarbonyl-23-dihydro-1H-indol-6-yl)sulfonyl]-N-(23-dimethylphenyl)propanamide

SMILES

Cc1cccc(NC(CCS(c(cc(c(CC2)c3)N2C(C2CC2)=O)c3Br)(=O)=O)=O)c1C

InChI

InChI=1S/C23H25BrN2O4S/c1-14-4-3-5-19(15(14)2)25-22(27)9-11-31(29,30)21-13-20-17(12-18(21)24)8-10-26(20)23(28)16-6-7-16/h3-5,12-13,16H,6-11H2,1-2H3,(H,25,27)

InChI Key

DRFSVMWEXGXWJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.036

Distribution Coefficient, logD

4.036

Water Solubility, LogSw

-4.08

Polar Surface Area

67.657

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

C300-0065 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 C300-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C300-0065?
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What is the minimum amount of C300-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C300-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C300-0065
  • 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 C300-0065 available by request