8015-4231 Screening compound: 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl N-(thiophene-2-carbonyl)carbamate

8015-4231 Screening compound: 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl N-(thiophene-2-carbonyl)carbamate
8015-4231 Screening compound: 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl N-(thiophene-2-carbonyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4231
2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl N-(thiophene-2-carbonyl)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

8015-4231

Molecular Formula

C18H18ClF3N4O3S (C18 H18 ClF3 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccs1)NC(OCCN(CC1)CCN1c(ncc(C(F)(F)F)c1)c1Cl)=O

InChI

InChI=1S/C18H18ClF3N4O3S/c19-13-10-12(18(20,21)22)11-23-15(13)26-5-3-25(4-6-26)7-8-29-17(28)24-16(27)14-2-1-9-30-14/h1-2,9-11H,3-8H2,(H,24,27,28)

InChI Key

XBXSQFLKVAQYQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.88

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

3.449

Distribution Coefficient, logD

3.085

Water Solubility, LogSw

-3.82

Polar Surface Area

63.215

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

7.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

8015-4231 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8015-4231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4231?
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What is the minimum amount of 8015-4231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4231
  • 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 8015-4231 available by request