C858-1174 Screening compound: 2-(4-methylpiperidin-1-yl)-6-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}-1,3-benzothiazole

C858-1174 Screening compound: 2-(4-methylpiperidin-1-yl)-6-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}-1,3-benzothiazole
C858-1174 Screening compound: 2-(4-methylpiperidin-1-yl)-6-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C858-1174
2-(4-methylpiperidin-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

C858-1174

Molecular Formula

C28H36N4O4S (C28 H36 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1c1nc(ccc(C(N2CCN(Cc(ccc(OC)c3OC)c3OC)CC2)=O)c2)c2s1

InChI

InChI=1S/C28H36N4O4S/c1-19-9-11-32(12-10-19)28-29-22-7-5-20(17-24(22)37-28)27(33)31-15-13-30(14-16-31)18-21-6-8-23(34-2)26(36-4)25(21)35-3/h5-8,17,19H,9-16,18H2,1-4H3

InChI Key

BZAUNQOQARKXFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.68

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

4.371

Distribution Coefficient, logD

4.170

Water Solubility, LogSw

-4.34

Polar Surface Area

56.480

Acid Dissociation Constant (pKa)

22.81

Base Dissociation Constant (pKb)

7.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C858-1174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C858-1174?
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What is the minimum amount of C858-1174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C858-1174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C858-1174
  • 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 C858-1174 available by request