C857-0079 Screening compound: N-(1-phenylethyl)-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C857-0079 Screening compound: N-(1-phenylethyl)-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
C857-0079 Screening compound: N-(1-phenylethyl)-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C857-0079
N-(1-phenylethyl)-1-[5-(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

C857-0079

Molecular Formula

C20H23N5OS (C20 H23 N5 OS)

Compound Name

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

IUPAC name

N-(1-phenylethyl)-1-[5-(1H-pyrrol-1-yl)-134-thiadiazol-2-yl]piperidine-4-carboxamide

SMILES

CC(c1ccccc1)NC(C(CC1)CCN1c1nnc(-n2cccc2)s1)=O

InChI

InChI=1S/C20H23N5OS/c1-15(16-7-3-2-4-8-16)21-18(26)17-9-13-25(14-10-17)20-23-22-19(27-20)24-11-5-6-12-24/h2-8,11-12,15,17H,9-10,13-14H2,1H3,(H,21,26)/t15-/m0/s1

InChI Key

HTKOGFZUKDCNIR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14800919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.5

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

3.269

Distribution Coefficient, logD

3.269

Water Solubility, LogSw

-3.34

Polar Surface Area

54.387

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with C857-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C857-0079?
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What is the minimum amount of C857-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C857-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C857-0079
  • 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 C857-0079 available by request