C464-0623 Screening compound: N-(2,4-dimethoxyphenyl)-3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamide

C464-0623 Screening compound: N-(2,4-dimethoxyphenyl)-3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamide
C464-0623 Screening compound: N-(2,4-dimethoxyphenyl)-3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-0623
N-(2,4-dimethoxyphenyl)-3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamide

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

C464-0623

Molecular Formula

C24H31N3O6S (C24 H31 N3 O6 S)

Compound Name

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

IUPAC name

N-(24-dimethoxyphenyl)-3-methyl-2-(1-propanoyl-23-dihydro-1H-indole-5-sulfonamido)butanamide

SMILES

CCC(N(CC1)c(cc2)c1cc2S(NC(C(C)C)C(Nc(ccc(OC)c1)c1OC)=O)(=O)=O)=O

InChI

InChI=1S/C24H31N3O6S/c1-6-22(28)27-12-11-16-13-18(8-10-20(16)27)34(30,31)26-23(15(2)3)24(29)25-19-9-7-17(32-4)14-21(19)33-5/h7-10,13-15,23,26H,6,11-12H2,1-5H3,(H,25,29)/t23-/m0/s1

InChI Key

GSCRXMXYYXGSKL-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14760129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.373

Distribution Coefficient, logD

3.371

Water Solubility, LogSw

-3.83

Polar Surface Area

94.824

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

C464-0623 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C464-0623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-0623?
Check Price and Availability of C464-0623, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C464-0623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-0623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-0623
  • 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 C464-0623 available by request