V004-9295 Screening compound: N-({[(4-tert-butylphenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-3,3-dimethyl-N-propylbutanamide

V004-9295 Screening compound: N-({[(4-tert-butylphenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-3,3-dimethyl-N-propylbutanamide
V004-9295 Screening compound: N-({[(4-tert-butylphenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-3,3-dimethyl-N-propylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-9295
N-({[(4-tert-butylphenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-3,3-dimethyl-N-propylbutanamide

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

V004-9295

Molecular Formula

C32H45N3O2 (C32 H45 N3 O2)

Compound Name

N-({[(4-tert-butylphenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-3,3-dimethyl-N-propylbutanamide

IUPAC name

N-({[(4-tert-butylphenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-33-dimethyl-N-propylbutanamide

SMILES

CCCN(CC(N(CCc1c[nH]c2c1cccc2)Cc1ccc(C(C)(C)C)cc1)=O)C(CC(C)(C)C)=O

InChI

InChI=1S/C32H45N3O2/c1-8-18-34(29(36)20-31(2,3)4)23-30(37)35(22-24-13-15-26(16-14-24)32(5,6)7)19-17-25-21-33-28-12-10-9-11-27(25)28/h9-16,21,33H,8,17-20,22-23H2,1-7H3

InChI Key

ABWAUJVMOGOEIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19773499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.73

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.943

Distribution Coefficient, logD

6.943

Water Solubility, LogSw

-5.93

Polar Surface Area

41.705

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V004-9295 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V004-9295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9295?
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What is the minimum amount of V004-9295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9295
  • 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 V004-9295 available by request