V009-6048 Screening compound: N-({[(4-chlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-N-cyclopropyl-3,3-dimethylbutanamide

V009-6048 Screening compound: N-({[(4-chlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-N-cyclopropyl-3,3-dimethylbutanamide
V009-6048 Screening compound: N-({[(4-chlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-N-cyclopropyl-3,3-dimethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-6048
N-({[(4-chlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-N-cyclopropyl-3,3-dimethylbutanamide

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

V009-6048

Molecular Formula

C28H34ClN3O2 (C28 H34 ClN3 O2)

Compound Name

N-({[(4-chlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-N-cyclopropyl-3,3-dimethylbutanamide

IUPAC name

N-({[(4-chlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)-N-cyclopropyl-33-dimethylbutanamide

SMILES

CC(C)(C)CC(N(CC(N(CCc1c[nH]c2c1cccc2)Cc(cc1)ccc1Cl)=O)C1CC1)=O

InChI

InChI=1S/C28H34ClN3O2/c1-28(2,3)16-26(33)32(23-12-13-23)19-27(34)31(18-20-8-10-22(29)11-9-20)15-14-21-17-30-25-7-5-4-6-24(21)25/h4-11,17,23,30H,12-16,18-19H2,1-3H3

InChI Key

UHDARBUOVINQSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19773501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.05

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.549

Distribution Coefficient, logD

5.549

Water Solubility, LogSw

-5.95

Polar Surface Area

41.031

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

V009-6048 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 V009-6048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-6048?
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What is the minimum amount of V009-6048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-6048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-6048
  • 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 V009-6048 available by request