V008-9608 Screening compound: 4-(3,5-difluorophenyl)-1-{[2-(trifluoromethoxy)phenyl]methyl}-1H-indol-5-yl N,N-diethylcarbamate

V008-9608 Screening compound: 4-(3,5-difluorophenyl)-1-{[2-(trifluoromethoxy)phenyl]methyl}-1H-indol-5-yl N,N-diethylcarbamate
V008-9608 Screening compound: 4-(3,5-difluorophenyl)-1-{[2-(trifluoromethoxy)phenyl]methyl}-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-9608
4-(3,5-difluorophenyl)-1-{[2-(trifluoromethoxy)phenyl]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

V008-9608

Molecular Formula

C27H23F5N2O3 (C27 H23 F5 N2 O3)

Compound Name

4-(3,5-difluorophenyl)-1-{[2-(trifluoromethoxy)phenyl]methyl}-1H-indol-5-yl N,N-diethylcarbamate

IUPAC name

4-(35-difluorophenyl)-1-{[2-(trifluoromethoxy)phenyl]methyl}-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc(cccc1)c1OC(F)(F)F)c2-c1cc(F)cc(F)c1)=O

InChI

InChI=1S/C27H23F5N2O3/c1-3-33(4-2)26(35)36-24-10-9-22-21(25(24)18-13-19(28)15-20(29)14-18)11-12-34(22)16-17-7-5-6-8-23(17)37-27(30,31)32/h5-15H,3-4,16H2,1-2H3

InChI Key

XNTOKNXVVOYZSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.633

Distribution Coefficient, logD

7.633

Water Solubility, LogSw

-5.87

Polar Surface Area

29.796

Acid Dissociation Constant (pKa)

27.27

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V008-9608 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 V008-9608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-9608?
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What is the minimum amount of V008-9608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-9608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-9608
  • 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 V008-9608 available by request