C857-1948 Screening compound: 1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide

C857-1948 Screening compound: 1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide
C857-1948 Screening compound: 1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C857-1948
1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(2-ethoxyphenyl)methyl]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

C857-1948

Molecular Formula

C23H29N5O2S (C23 H29 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1c(CNC(C(CC2)CCN2c2nnc(-n3c(C)ccc3C)s2)=O)cccc1

InChI

InChI=1S/C23H29N5O2S/c1-4-30-20-8-6-5-7-19(20)15-24-21(29)18-11-13-27(14-12-18)22-25-26-23(31-22)28-16(2)9-10-17(28)3/h5-10,18H,4,11-15H2,1-3H3,(H,24,29)

InChI Key

KMZLJRGJKBCMLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.58

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

3.658

Distribution Coefficient, logD

3.658

Water Solubility, LogSw

-3.58

Polar Surface Area

61.337

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

C857-1948 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C857-1948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C857-1948?
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What is the minimum amount of C857-1948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C857-1948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C857-1948
  • 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 C857-1948 available by request