C450-0167 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(1-benzylpiperidin-4-yl)-3-methylbutanamide

C450-0167 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(1-benzylpiperidin-4-yl)-3-methylbutanamide
C450-0167 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(1-benzylpiperidin-4-yl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C450-0167
2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(1-benzylpiperidin-4-yl)-3-methylbutanamide

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

C450-0167

Molecular Formula

C27H36N4O4S (C27 H36 N4 O4 S)

Compound Name

2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(1-benzylpiperidin-4-yl)-3-methylbutanamide

IUPAC name

2-(1-acetyl-23-dihydro-1H-indole-5-sulfonamido)-N-(1-benzylpiperidin-4-yl)-3-methylbutanamide

SMILES

CC(C)C(C(NC1CCN(Cc2ccccc2)CC1)=O)NS(c(cc1)cc(CC2)c1N2C(C)=O)(=O)=O

InChI

InChI=1S/C27H36N4O4S/c1-19(2)26(27(33)28-23-12-14-30(15-13-23)18-21-7-5-4-6-8-21)29-36(34,35)24-9-10-25-22(17-24)11-16-31(25)20(3)32/h4-10,17,19,23,26,29H,11-16,18H2,1-3H3,(H,28,33)/t26-/m0/s1

InChI Key

WXEXWVZWHYDBQZ-SANMLTNESA-N

MDL Number (MFCD)

MFCD14759343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.931

Distribution Coefficient, logD

1.373

Water Solubility, LogSw

-3.63

Polar Surface Area

85.931

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

C450-0167 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C450-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C450-0167?
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What is the minimum amount of C450-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C450-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C450-0167
  • 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 C450-0167 available by request