C857-1858 Screening compound: 1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)piperidine-4-carboxamide

C857-1858 Screening compound: 1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)piperidine-4-carboxamide
C857-1858 Screening compound: 1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C857-1858
1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)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

C857-1858

Molecular Formula

C17H25N5O2S (C17 H25 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C)n1-c1nnc(N(CC2)CCC2C(NCCOC)=O)s1

InChI

InChI=1S/C17H25N5O2S/c1-12-4-5-13(2)22(12)17-20-19-16(25-17)21-9-6-14(7-10-21)15(23)18-8-11-24-3/h4-5,14H,6-11H2,1-3H3,(H,18,23)

InChI Key

QCTJKNGPECAARG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.782

Distribution Coefficient, logD

1.782

Water Solubility, LogSw

-2.30

Polar Surface Area

62.583

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

References: we are preparing a list of scientific research reports with C857-1858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C857-1858?
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What is the minimum amount of C857-1858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C857-1858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C857-1858
  • 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 C857-1858 available by request