C796-0232 Screening compound: N-{[4-(propan-2-yloxy)phenyl]methyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

C796-0232 Screening compound: N-{[4-(propan-2-yloxy)phenyl]methyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
C796-0232 Screening compound: N-{[4-(propan-2-yloxy)phenyl]methyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0232
N-{[4-(propan-2-yloxy)phenyl]methyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

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

C796-0232

Molecular Formula

C22H27N5O2S (C22 H27 N5 O2 S)

Compound Name

N-{[4-(propan-2-yloxy)phenyl]methyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

IUPAC name

N-{[4-(propan-2-yloxy)phenyl]methyl}-1-[5-(1H-pyrrol-1-yl)-134-thiadiazol-2-yl]piperidine-3-carboxamide

SMILES

CC(C)Oc1ccc(CNC(C(CCC2)CN2c2nnc(-n3cccc3)s2)=O)cc1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.562

Distribution Coefficient, logD

3.562

Water Solubility, LogSw

-3.61

Polar Surface Area

61.960

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with C796-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0232?
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What is the minimum amount of C796-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0232
  • 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 C796-0232 available by request