C795-1229 Screening compound: N-[(4-chlorophenyl)methyl]-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C795-1229 Screening compound: N-[(4-chlorophenyl)methyl]-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
C795-1229 Screening compound: N-[(4-chlorophenyl)methyl]-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-1229
N-[(4-chlorophenyl)methyl]-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-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

C795-1229

Molecular Formula

C21H24ClN5OS (C21 H24 ClN5 OS)

Compound Name

N-[(4-chlorophenyl)methyl]-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

IUPAC name

N-[(4-chlorophenyl)methyl]-1-[5-(25-dimethyl-1H-pyrrol-1-yl)-134-thiadiazol-2-yl]piperidine-4-carboxamide

SMILES

Cc1ccc(C)n1-c1nnc(N(CC2)CCC2C(NCc(cc2)ccc2Cl)=O)s1

InChI

InChI=1S/C21H24ClN5OS/c1-14-3-4-15(2)27(14)21-25-24-20(29-21)26-11-9-17(10-12-26)19(28)23-13-16-5-7-18(22)8-6-16/h3-8,17H,9-13H2,1-2H3,(H,23,28)

InChI Key

OWNHVPVQIWIVMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.97

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.644

Distribution Coefficient, logD

3.644

Water Solubility, LogSw

-3.98

Polar Surface Area

54.127

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with C795-1229 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C795-1229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-1229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-1229
  • 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 C795-1229 available by request