V006-8262 Screening compound: 4-(2-ethylhexanamido)-1-[(4-fluorophenyl)methyl]-1H-indol-5-yl N,N-diethylcarbamate

V006-8262 Screening compound: 4-(2-ethylhexanamido)-1-[(4-fluorophenyl)methyl]-1H-indol-5-yl N,N-diethylcarbamate
V006-8262 Screening compound: 4-(2-ethylhexanamido)-1-[(4-fluorophenyl)methyl]-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-8262
4-(2-ethylhexanamido)-1-[(4-fluorophenyl)methyl]-1H-indol-5-yl N,N-diethylcarbamate

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

V006-8262

Molecular Formula

C28H36FN3O3 (C28 H36 FN3 O3)

Compound Name

4-(2-ethylhexanamido)-1-[(4-fluorophenyl)methyl]-1H-indol-5-yl N,N-diethylcarbamate

IUPAC name

4-(2-ethylhexanamido)-1-[(4-fluorophenyl)methyl]-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCCCC(CC)C(Nc(c1c(cc2)n(Cc(cc3)ccc3F)cc1)c2OC(N(CC)CC)=O)=O

InChI

InChI=1S/C28H36FN3O3/c1-5-9-10-21(6-2)27(33)30-26-23-17-18-32(19-20-11-13-22(29)14-12-20)24(23)15-16-25(26)35-28(34)31(7-3)8-4/h11-18,21H,5-10,19H2,1-4H3,(H,30,33)/t21-/m0/s1

InChI Key

VDLSMCPMRRPKPG-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19947930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.181

Distribution Coefficient, logD

6.181

Water Solubility, LogSw

-5.64

Polar Surface Area

46.011

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

V006-8262 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V006-8262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-8262?
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What is the minimum amount of V006-8262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-8262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-8262
  • 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 V006-8262 available by request