8015-4232 Screening compound: 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl N-(4-methylbenzoyl)carbamate

8015-4232 Screening compound: 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl N-(4-methylbenzoyl)carbamate
8015-4232 Screening compound: 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl N-(4-methylbenzoyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4232
2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl N-(4-methylbenzoyl)carbamate

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

8015-4232

Molecular Formula

C21H22ClF3N4O3 (C21 H22 ClF3 N4 O3)

Compound Name

2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl N-(4-methylbenzoyl)carbamate

IUPAC name

2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl N-(4-methylbenzoyl)carbamate

SMILES

Cc(cc1)ccc1C(NC(OCCN(CC1)CCN1c(ncc(C(F)(F)F)c1)c1Cl)=O)=O

InChI

InChI=1S/C21H22ClF3N4O3/c1-14-2-4-15(5-3-14)19(30)27-20(31)32-11-10-28-6-8-29(9-7-28)18-17(22)12-16(13-26-18)21(23,24)25/h2-5,12-13H,6-11H2,1H3,(H,27,30,31)

InChI Key

ZXZQIOUBMKFKTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.960

Distribution Coefficient, logD

3.960

Water Solubility, LogSw

-4.33

Polar Surface Area

62.197

Acid Dissociation Constant (pKa)

7.37

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

8015-4232 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8015-4232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4232?
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What is the minimum amount of 8015-4232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4232
  • 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 8015-4232 available by request