C464-0657 Screening compound: N-cyclopentyl-3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamide

C464-0657 Screening compound: N-cyclopentyl-3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamide
C464-0657 Screening compound: N-cyclopentyl-3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-0657
N-cyclopentyl-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

C464-0657

Molecular Formula

C21H31N3O4S (C21 H31 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(N(CC1)c(cc2)c1cc2S(NC(C(C)C)C(NC1CCCC1)=O)(=O)=O)=O

InChI

InChI=1S/C21H31N3O4S/c1-4-19(25)24-12-11-15-13-17(9-10-18(15)24)29(27,28)23-20(14(2)3)21(26)22-16-7-5-6-8-16/h9-10,13-14,16,20,23H,4-8,11-12H2,1-3H3,(H,22,26)/t20-/m0/s1

InChI Key

WTCHPFKMGDWDMU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14760136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.205

Distribution Coefficient, logD

3.205

Water Solubility, LogSw

-3.69

Polar Surface Area

81.761

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

C464-0657 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C464-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-0657?
Check Price and Availability of C464-0657, 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 C464-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-0657
  • 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 C464-0657 available by request