V010-3107 Screening compound: 4-(3,5-dichlorophenyl)-1-({3-[(trifluoromethyl)sulfanyl]phenyl}methyl)-1H-indol-5-yl N,N-diethylcarbamate

V010-3107 Screening compound: 4-(3,5-dichlorophenyl)-1-({3-[(trifluoromethyl)sulfanyl]phenyl}methyl)-1H-indol-5-yl N,N-diethylcarbamate
V010-3107 Screening compound: 4-(3,5-dichlorophenyl)-1-({3-[(trifluoromethyl)sulfanyl]phenyl}methyl)-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-3107
4-(3,5-dichlorophenyl)-1-({3-[(trifluoromethyl)sulfanyl]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

V010-3107

Molecular Formula

C27H23Cl2F3N2O2S (C27 H23 Cl2 F3 N2 O2 S)

Compound Name

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

IUPAC name

4-(35-dichlorophenyl)-1-({3-[(trifluoromethyl)sulfanyl]phenyl}methyl)-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc1cc(SC(F)(F)F)ccc1)c2-c1cc(Cl)cc(Cl)c1)=O

InChI

InChI=1S/C27H23Cl2F3N2O2S/c1-3-33(4-2)26(35)36-24-9-8-23-22(25(24)18-13-19(28)15-20(29)14-18)10-11-34(23)16-17-6-5-7-21(12-17)37-27(30,31)32/h5-15H,3-4,16H2,1-2H3

InChI Key

YBSVBAYAEJZWJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.869

Distribution Coefficient, logD

8.869

Water Solubility, LogSw

-6.74

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

V010-3107 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V010-3107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-3107?
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What is the minimum amount of V010-3107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-3107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-3107
  • 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 V010-3107 available by request