C797-0176 Screening compound: ethyl 4-[1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-amido]benzoate

C797-0176 Screening compound: ethyl 4-[1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-amido]benzoate
C797-0176 Screening compound: ethyl 4-[1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0176
ethyl 4-[1-(5-bromo-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

C797-0176

Molecular Formula

C24H26BrN3O4S (C24 H26 BrN3 O4 S)

Compound Name

ethyl 4-[1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-amido]benzoate

IUPAC name

ethyl 4-[1-(5-bromo-6-ethoxy-13-benzothiazol-2-yl)piperidine-4-amido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(CC1)CCN1c(sc1c2)nc1cc(Br)c2OCC)=O)=O

InChI

InChI=1S/C24H26BrN3O4S/c1-3-31-20-14-21-19(13-18(20)25)27-24(33-21)28-11-9-15(10-12-28)22(29)26-17-7-5-16(6-8-17)23(30)32-4-2/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,26,29)

InChI Key

TZXWRQINEGEDHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.46

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

5.719

Distribution Coefficient, logD

5.717

Water Solubility, LogSw

-5.43

Polar Surface Area

64.281

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with C797-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0176?
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What is the minimum amount of C797-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0176
  • 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 C797-0176 available by request