C858-1746 Screening compound: 2-(morpholin-4-yl)-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,3-benzothiazole

C858-1746 Screening compound: 2-(morpholin-4-yl)-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,3-benzothiazole
C858-1746 Screening compound: 2-(morpholin-4-yl)-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C858-1746
2-(morpholin-4-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

C858-1746

Molecular Formula

C23H23F3N4O2S (C23 H23 F3 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc2c1nc(N1CCOCC1)s2)N(CC1)CCN1c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C23H23F3N4O2S/c24-23(25,26)17-2-1-3-18(15-17)28-6-8-29(9-7-28)21(31)16-4-5-19-20(14-16)33-22(27-19)30-10-12-32-13-11-30/h1-5,14-15H,6-13H2

InChI Key

KUOIVTBRHQHTRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.053

Distribution Coefficient, logD

4.053

Water Solubility, LogSw

-4.28

Polar Surface Area

41.043

Acid Dissociation Constant (pKa)

23.49

Base Dissociation Constant (pKb)

7.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C858-1746 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C858-1746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C858-1746?
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What is the minimum amount of C858-1746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C858-1746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C858-1746
  • 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 C858-1746 available by request