C464-1149 Screening compound: N-(2,3-dimethylphenyl)-3-phenyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)propanamide

C464-1149 Screening compound: N-(2,3-dimethylphenyl)-3-phenyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)propanamide
C464-1149 Screening compound: N-(2,3-dimethylphenyl)-3-phenyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-1149
N-(2,3-dimethylphenyl)-3-phenyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)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

C464-1149

Molecular Formula

C28H31N3O4S (C28 H31 N3 O4 S)

Compound Name

N-(2,3-dimethylphenyl)-3-phenyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)propanamide

IUPAC name

N-(23-dimethylphenyl)-3-phenyl-2-(1-propanoyl-23-dihydro-1H-indole-5-sulfonamido)propanamide

SMILES

CCC(N(CC1)c(cc2)c1cc2S(NC(Cc1ccccc1)C(Nc1c(C)c(C)ccc1)=O)(=O)=O)=O

InChI

InChI=1S/C28H31N3O4S/c1-4-27(32)31-16-15-22-18-23(13-14-26(22)31)36(34,35)30-25(17-21-10-6-5-7-11-21)28(33)29-24-12-8-9-19(2)20(24)3/h5-14,18,25,30H,4,15-17H2,1-3H3,(H,29,33)/t25-/m0/s1

InChI Key

SRLJIKJUCYUSQA-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14760233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.142

Distribution Coefficient, logD

5.142

Water Solubility, LogSw

-4.97

Polar Surface Area

79.657

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

C464-1149 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C464-1149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-1149?
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What is the minimum amount of C464-1149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-1149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-1149
  • 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 C464-1149 available by request