C300-0063 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)propanamide

C300-0063 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)propanamide
C300-0063 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C300-0063
3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)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

C300-0063

Molecular Formula

C23H25BrN2O6S (C23 H25 BrN2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)cc(OC)c1NC(CCS(c(cc(c(CC1)c2)N1C(C1CC1)=O)c2Br)(=O)=O)=O

InChI

InChI=1S/C23H25BrN2O6S/c1-31-16-5-6-18(20(12-16)32-2)25-22(27)8-10-33(29,30)21-13-19-15(11-17(21)24)7-9-26(19)23(28)14-3-4-14/h5-6,11-14H,3-4,7-10H2,1-2H3,(H,25,27)

InChI Key

XFHIWYXLOKDSIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.151

Distribution Coefficient, logD

3.150

Water Solubility, LogSw

-3.67

Polar Surface Area

82.831

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

C300-0063 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C300-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C300-0063?
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What is the minimum amount of C300-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C300-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C300-0063
  • 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 C300-0063 available by request