C300-0089 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[(4-methylphenyl)methyl]propanamide

C300-0089 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[(4-methylphenyl)methyl]propanamide
C300-0089 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[(4-methylphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C300-0089
3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[(4-methylphenyl)methyl]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

C300-0089

Molecular Formula

C23H25BrN2O4S (C23 H25 BrN2 O4 S)

Compound Name

3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[(4-methylphenyl)methyl]propanamide

IUPAC name

3-[(5-bromo-1-cyclopropanecarbonyl-23-dihydro-1H-indol-6-yl)sulfonyl]-N-[(4-methylphenyl)methyl]propanamide

SMILES

Cc1ccc(CNC(CCS(c(cc(c(CC2)c3)N2C(C2CC2)=O)c3Br)(=O)=O)=O)cc1

InChI

InChI=1S/C23H25BrN2O4S/c1-15-2-4-16(5-3-15)14-25-22(27)9-11-31(29,30)21-13-20-18(12-19(21)24)8-10-26(20)23(28)17-6-7-17/h2-5,12-13,17H,6-11,14H2,1H3,(H,25,27)

InChI Key

TYDIKIUDRVPEOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741532

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

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.530

Distribution Coefficient, logD

3.530

Water Solubility, LogSw

-3.81

Polar Surface Area

69.677

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

C300-0089 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 C300-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C300-0089?
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What is the minimum amount of C300-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C300-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C300-0089
  • 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 C300-0089 available by request