V010-4922 Screening compound: 1-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-4-(3,4-difluorophenyl)-1H-indol-5-yl N,N-diethylcarbamate

V010-4922 Screening compound: 1-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-4-(3,4-difluorophenyl)-1H-indol-5-yl N,N-diethylcarbamate
V010-4922 Screening compound: 1-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-4-(3,4-difluorophenyl)-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-4922
1-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-4-(3,4-difluorophenyl)-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

V010-4922

Molecular Formula

C27H22ClF5N2O2 (C27 H22 ClF5 N2 O2)

Compound Name

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

IUPAC name

1-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-4-(34-difluorophenyl)-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc(cc(C(F)(F)F)cc1)c1Cl)c2-c(cc1)cc(F)c1F)=O

InChI

InChI=1S/C27H22ClF5N2O2/c1-3-34(4-2)26(36)37-24-10-9-23-19(25(24)16-5-8-21(29)22(30)14-16)11-12-35(23)15-17-13-18(27(31,32)33)6-7-20(17)28/h5-14H,3-4,15H2,1-2H3

InChI Key

BGQBLDUFKOPUID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.93

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.763

Distribution Coefficient, logD

7.763

Water Solubility, LogSw

-6.88

Polar Surface Area

23.773

Acid Dissociation Constant (pKa)

27.27

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V010-4922 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 V010-4922 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-4922?
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What is the minimum amount of V010-4922 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-4922
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-4922
  • 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 V010-4922 available by request