C782-1202 Screening compound: ethyl 4-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-amido]benzoate

C782-1202 Screening compound: ethyl 4-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-amido]benzoate
C782-1202 Screening compound: ethyl 4-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C782-1202
ethyl 4-[1-(4,6-dimethyl-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

C782-1202

Molecular Formula

C24H27N3O3S (C24 H27 N3 O3 S)

Compound Name

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

IUPAC name

ethyl 4-[1-(46-dimethyl-13-benzothiazol-2-yl)piperidine-4-amido]benzoate

SMILES

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

InChI

InChI=1S/C24H27N3O3S/c1-4-30-23(29)18-5-7-19(8-6-18)25-22(28)17-9-11-27(12-10-17)24-26-21-16(3)13-15(2)14-20(21)31-24/h5-8,13-14,17H,4,9-12H2,1-3H3,(H,25,28)

InChI Key

FCHXGLNEKDZZFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.624

Distribution Coefficient, logD

5.622

Water Solubility, LogSw

-5.33

Polar Surface Area

57.842

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

12.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C782-1202 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 C782-1202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C782-1202?
Check Price and Availability of C782-1202, 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 C782-1202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C782-1202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C782-1202
  • 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 C782-1202 available by request