V013-6532 Screening compound: 3-chloro-2,2-dimethyl-N-[3-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H-indol-5-yl]propanamide

V013-6532 Screening compound: 3-chloro-2,2-dimethyl-N-[3-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H-indol-5-yl]propanamide
V013-6532 Screening compound: 3-chloro-2,2-dimethyl-N-[3-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H-indol-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-6532
3-chloro-2,2-dimethyl-N-[3-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H-indol-5-yl]propanamide

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

V013-6532

Molecular Formula

C26H30ClF3N4O (C26 H30 ClF3 N4 O)

Compound Name

3-chloro-2,2-dimethyl-N-[3-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H-indol-5-yl]propanamide

IUPAC name

3-chloro-22-dimethyl-N-[3-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H-indol-5-yl]propanamide

SMILES

CC(C)(CCl)C(Nc(cc1)cc2c1[nH]cc2CCN(CC1)CCN1c1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C26H30ClF3N4O/c1-25(2,17-27)24(35)32-20-6-7-23-22(15-20)18(16-31-23)8-9-33-10-12-34(13-11-33)21-5-3-4-19(14-21)26(28,29)30/h3-7,14-16,31H,8-13,17H2,1-2H3,(H,32,35)

InChI Key

JVMPZJHRACYHHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19964878

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

507

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.513

Distribution Coefficient, logD

5.314

Water Solubility, LogSw

-5.72

Polar Surface Area

40.443

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

7.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

V013-6532 in Drug Discovery

Included in Screening Libraries

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 V013-6532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-6532?
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What is the minimum amount of V013-6532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-6532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-6532
  • 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 V013-6532 available by request