C782-0076 Screening compound: ethyl 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-amido]benzoate

C782-0076 Screening compound: ethyl 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-amido]benzoate
C782-0076 Screening compound: ethyl 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C782-0076
ethyl 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-amido]benzoate

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

C782-0076

Molecular Formula

C24H27N3O4S (C24 H27 N3 O4 S)

Compound Name

ethyl 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-amido]benzoate

IUPAC name

ethyl 4-[1-(6-ethoxy-13-benzothiazol-2-yl)piperidine-4-amido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(CC1)CCN1c1nc(ccc(OCC)c2)c2s1)=O)=O

InChI

InChI=1S/C24H27N3O4S/c1-3-30-19-9-10-20-21(15-19)32-24(26-20)27-13-11-16(12-14-27)22(28)25-18-7-5-17(6-8-18)23(29)31-4-2/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,25,28)

InChI Key

HCFVVNHYLYYYAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.194

Distribution Coefficient, logD

5.189

Water Solubility, LogSw

-5.05

Polar Surface Area

64.195

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with C782-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C782-0076?
Check Price and Availability of C782-0076, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C782-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C782-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C782-0076
  • 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 C782-0076 available by request