C300-0342 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)-N-methylpropanamide

C300-0342 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)-N-methylpropanamide
C300-0342 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)-N-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C300-0342
3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)-N-methylpropanamide

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

C300-0342

Molecular Formula

C24H27BrN2O6S (C24 H27 BrN2 O6 S)

Compound Name

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

IUPAC name

3-[(5-bromo-1-cyclopropanecarbonyl-23-dihydro-1H-indol-6-yl)sulfonyl]-N-(24-dimethoxyphenyl)-N-methylpropanamide

SMILES

CN(C(CCS(c(cc(c(CC1)c2)N1C(C1CC1)=O)c2Br)(=O)=O)=O)c(ccc(OC)c1)c1OC

InChI

InChI=1S/C24H27BrN2O6S/c1-26(19-7-6-17(32-2)13-21(19)33-3)23(28)9-11-34(30,31)22-14-20-16(12-18(22)25)8-10-27(20)24(29)15-4-5-15/h6-7,12-15H,4-5,8-11H2,1-3H3

InChI Key

DBMBPEXGZCZCQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.297

Distribution Coefficient, logD

3.297

Water Solubility, LogSw

-3.76

Polar Surface Area

75.192

Acid Dissociation Constant (pKa)

19.96

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

C300-0342 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C300-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C300-0342?
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What is the minimum amount of C300-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C300-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C300-0342
  • 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 C300-0342 available by request