C464-0694 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamide

C464-0694 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamide
C464-0694 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-0694
N-[(2H-1,3-benzodioxol-5-yl)methyl]-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

C464-0694

Molecular Formula

C24H29N3O6S (C24 H29 N3 O6 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-methyl-2-(1-propanoyl-23-dihydro-1H-indole-5-sulfonamido)butanamide

SMILES

CCC(N(CC1)c(cc2)c1cc2S(NC(C(C)C)C(NCc(cc1)cc2c1OCO2)=O)(=O)=O)=O

InChI

InChI=1S/C24H29N3O6S/c1-4-22(28)27-10-9-17-12-18(6-7-19(17)27)34(30,31)26-23(15(2)3)24(29)25-13-16-5-8-20-21(11-16)33-14-32-20/h5-8,11-12,15,23,26H,4,9-10,13-14H2,1-3H3,(H,25,29)/t23-/m0/s1

InChI Key

XHWWGSUMXARDDI-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14760145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.803

Distribution Coefficient, logD

2.802

Water Solubility, LogSw

-3.51

Polar Surface Area

98.786

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

C464-0694 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Adenosine Receptors Targeted Library (19896 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 C464-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-0694?
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What is the minimum amount of C464-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-0694
  • 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 C464-0694 available by request