C464-0974 Screening compound: N-(2,5-dimethoxyphenyl)-4-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide

C464-0974 Screening compound: N-(2,5-dimethoxyphenyl)-4-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide
C464-0974 Screening compound: N-(2,5-dimethoxyphenyl)-4-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-0974
N-(2,5-dimethoxyphenyl)-4-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide

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

C464-0974

Molecular Formula

C25H33N3O6S (C25 H33 N3 O6 S)

Compound Name

N-(2,5-dimethoxyphenyl)-4-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide

IUPAC name

N-(25-dimethoxyphenyl)-4-methyl-2-(1-propanoyl-23-dihydro-1H-indole-5-sulfonamido)pentanamide

SMILES

CCC(N(CC1)c(cc2)c1cc2S(NC(CC(C)C)C(Nc(cc(cc1)OC)c1OC)=O)(=O)=O)=O

InChI

InChI=1S/C25H33N3O6S/c1-6-24(29)28-12-11-17-14-19(8-9-22(17)28)35(31,32)27-21(13-16(2)3)25(30)26-20-15-18(33-4)7-10-23(20)34-5/h7-10,14-16,21,27H,6,11-13H2,1-5H3,(H,26,30)/t21-/m0/s1

InChI Key

YQMVNOWWSQOZMP-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14760201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.020

Distribution Coefficient, logD

4.013

Water Solubility, LogSw

-4.14

Polar Surface Area

95.103

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C464-0974 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

SH2 Library (10483 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C464-0974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-0974?
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What is the minimum amount of C464-0974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-0974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-0974
  • 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 C464-0974 available by request