V008-6171 Screening compound: 1-[(4-chlorophenyl)methyl]-4-(3,5-difluorobenzamido)-1H-indol-5-yl N,N-diethylcarbamate

V008-6171 Screening compound: 1-[(4-chlorophenyl)methyl]-4-(3,5-difluorobenzamido)-1H-indol-5-yl N,N-diethylcarbamate
V008-6171 Screening compound: 1-[(4-chlorophenyl)methyl]-4-(3,5-difluorobenzamido)-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-6171
1-[(4-chlorophenyl)methyl]-4-(3,5-difluorobenzamido)-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

V008-6171

Molecular Formula

C27H24ClF2N3O3 (C27 H24 ClF2 N3 O3)

Compound Name

1-[(4-chlorophenyl)methyl]-4-(3,5-difluorobenzamido)-1H-indol-5-yl N,N-diethylcarbamate

IUPAC name

1-[(4-chlorophenyl)methyl]-4-(35-difluorobenzamido)-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc(cc1)ccc1Cl)c2NC(c1cc(F)cc(F)c1)=O)=O

InChI

InChI=1S/C27H24ClF2N3O3/c1-3-32(4-2)27(35)36-24-10-9-23-22(11-12-33(23)16-17-5-7-19(28)8-6-17)25(24)31-26(34)18-13-20(29)15-21(30)14-18/h5-15H,3-4,16H2,1-2H3,(H,31,34)

InChI Key

SSZDSCOFYCPCRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19948044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.894

Distribution Coefficient, logD

5.840

Water Solubility, LogSw

-6.16

Polar Surface Area

45.740

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

V008-6171 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 V008-6171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-6171?
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What is the minimum amount of V008-6171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-6171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-6171
  • 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 V008-6171 available by request