C782-1100 Screening compound: 4,6-dimethyl-2-{4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-1,3-benzothiazole

C782-1100 Screening compound: 4,6-dimethyl-2-{4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-1,3-benzothiazole
C782-1100 Screening compound: 4,6-dimethyl-2-{4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C782-1100
4,6-dimethyl-2-{4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-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

C782-1100

Molecular Formula

C27H34N4OS (C27 H34 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(CN(CC1)C(C(CC2)CCN2c2nc(c(C)cc(C)c3)c3s2)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C27H34N4OS/c1-18-6-5-7-23(15-18)31-13-12-30(17-21(31)4)26(32)22-8-10-29(11-9-22)27-28-25-20(3)14-19(2)16-24(25)33-27/h5-7,14-16,21-22H,8-13,17H2,1-4H3/t21-/m0/s1

InChI Key

RFHSFZZXJLRHHC-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14794041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.66

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

6.120

Distribution Coefficient, logD

6.118

Water Solubility, LogSw

-5.34

Polar Surface Area

33.124

Acid Dissociation Constant (pKa)

21.91

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

C782-1100 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 C782-1100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C782-1100?
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What is the minimum amount of C782-1100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C782-1100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C782-1100
  • 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 C782-1100 available by request