C858-0880 Screening compound: 2-(piperidin-1-yl)-6-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}-1,3-benzothiazole

C858-0880 Screening compound: 2-(piperidin-1-yl)-6-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}-1,3-benzothiazole
C858-0880 Screening compound: 2-(piperidin-1-yl)-6-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C858-0880
2-(piperidin-1-yl)-6-{4-[(2,3,4-trimethoxyphenyl)methyl]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

C858-0880

Molecular Formula

C27H34N4O4S (C27 H34 N4 O4 S)

Compound Name

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

IUPAC name

2-(piperidin-1-yl)-6-{4-[(234-trimethoxyphenyl)methyl]piperazine-1-carbonyl}-13-benzothiazole

SMILES

COc(ccc(CN(CC1)CCN1C(c(cc1)cc2c1nc(N1CCCCC1)s2)=O)c1OC)c1OC

InChI

InChI=1S/C27H34N4O4S/c1-33-22-10-8-20(24(34-2)25(22)35-3)18-29-13-15-30(16-14-29)26(32)19-7-9-21-23(17-19)36-27(28-21)31-11-5-4-6-12-31/h7-10,17H,4-6,11-16,18H2,1-3H3

InChI Key

FIINFDOCGZJYHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801360

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

510.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.040

Distribution Coefficient, logD

3.840

Water Solubility, LogSw

-4.14

Polar Surface Area

56.480

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

7.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

C858-0880 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C858-0880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C858-0880?
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What is the minimum amount of C858-0880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C858-0880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C858-0880
  • 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 C858-0880 available by request