C782-0506 Screening compound: 2-{3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-6-ethoxy-1,3-benzothiazole

C782-0506 Screening compound: 2-{3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-6-ethoxy-1,3-benzothiazole
C782-0506 Screening compound: 2-{3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-6-ethoxy-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C782-0506
2-{3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-6-ethoxy-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

C782-0506

Molecular Formula

C25H29ClN4O2S (C25 H29 ClN4 O2 S)

Compound Name

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

IUPAC name

2-{3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-6-ethoxy-13-benzothiazole

SMILES

CCOc(cc1)cc2c1nc(N(CCC1)CC1C(N(CC1)CCN1c1cccc(Cl)c1)=O)s2

InChI

InChI=1S/C25H29ClN4O2S/c1-2-32-21-8-9-22-23(16-21)33-25(27-22)30-10-4-5-18(17-30)24(31)29-13-11-28(12-14-29)20-7-3-6-19(26)15-20/h3,6-9,15-16,18H,2,4-5,10-14,17H2,1H3/t18-/m0/s1

InChI Key

OKGUSYHPSIUJAU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14794017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.05

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.342

Distribution Coefficient, logD

5.342

Water Solubility, LogSw

-5.76

Polar Surface Area

40.192

Acid Dissociation Constant (pKa)

22.82

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

References: we are preparing a list of scientific research reports with C782-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C782-0506?
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What is the minimum amount of C782-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C782-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C782-0506
  • 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 C782-0506 available by request