C858-0864 Screening compound: 2-(piperidin-1-yl)-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,3-benzothiazole

C858-0864 Screening compound: 2-(piperidin-1-yl)-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,3-benzothiazole
C858-0864 Screening compound: 2-(piperidin-1-yl)-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C858-0864
2-(piperidin-1-yl)-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,3-benzothiazole

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

C858-0864

Molecular Formula

C24H25F3N4OS (C24 H25 F3 N4 OS)

Compound Name

2-(piperidin-1-yl)-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,3-benzothiazole

IUPAC name

2-(piperidin-1-yl)-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-13-benzothiazole

SMILES

O=C(c(cc1)cc2c1nc(N1CCCCC1)s2)N(CC1)CCN1c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C24H25F3N4OS/c25-24(26,27)18-5-4-6-19(16-18)29-11-13-30(14-12-29)22(32)17-7-8-20-21(15-17)33-23(28-20)31-9-2-1-3-10-31/h4-8,15-16H,1-3,9-14H2

InChI Key

HYYKKYPCGQJYIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.212

Distribution Coefficient, logD

5.211

Water Solubility, LogSw

-5.45

Polar Surface Area

33.135

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C858-0864 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C858-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C858-0864?
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What is the minimum amount of C858-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C858-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C858-0864
  • 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 C858-0864 available by request