C782-1392 Screening compound: 2-{3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-4,6-dimethyl-1,3-benzothiazole

C782-1392 Screening compound: 2-{3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-4,6-dimethyl-1,3-benzothiazole
C782-1392 Screening compound: 2-{3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-4,6-dimethyl-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C782-1392
2-{3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-4,6-dimethyl-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

C782-1392

Molecular Formula

C25H29FN4OS (C25 H29 FN4 OS)

Compound Name

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

IUPAC name

2-{3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-46-dimethyl-13-benzothiazole

SMILES

Cc(cc1C)cc2c1nc(N(CCC1)CC1C(N(CC1)CCN1c(cc1)ccc1F)=O)s2

InChI

InChI=1S/C25H29FN4OS/c1-17-14-18(2)23-22(15-17)32-25(27-23)30-9-3-4-19(16-30)24(31)29-12-10-28(11-13-29)21-7-5-20(26)6-8-21/h5-8,14-15,19H,3-4,9-13,16H2,1-2H3/t19-/m0/s1

InChI Key

JAPQNCKPBPGUOF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14794143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.6

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.339

Distribution Coefficient, logD

5.339

Water Solubility, LogSw

-5.24

Polar Surface Area

33.839

Acid Dissociation Constant (pKa)

22.82

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C782-1392 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C782-1392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C782-1392?
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What is the minimum amount of C782-1392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C782-1392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C782-1392
  • 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 C782-1392 available by request