K786-7828 Screening compound: 1-(4-methylbenzyl)-5-oxo-N-(2-thienylmethyl)-2-pyrrolidinecarboxamide

K786-7828 Screening compound: 1-(4-methylbenzyl)-5-oxo-N-(2-thienylmethyl)-2-pyrrolidinecarboxamide
K786-7828 Screening compound: 1-(4-methylbenzyl)-5-oxo-N-(2-thienylmethyl)-2-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-7828
1-(4-methylbenzyl)-5-oxo-N-(2-thienylmethyl)-2-pyrrolidinecarboxamide

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

K786-7828

Molecular Formula

C18H20N2O2S (C18 H20 N2 O2 S)

Compound Name

1-(4-methylbenzyl)-5-oxo-N-(2-thienylmethyl)-2-pyrrolidinecarboxamide

IUPAC name

1-[(4-methylphenyl)methyl]-5-oxo-N-[(thiophen-2-yl)methyl]pyrrolidine-2-carboxamide

SMILES

Cc1ccc(CN(C(CC2)C(NCc3cccs3)=O)C2=O)cc1

InChI

InChI=1S/C18H20N2O2S/c1-13-4-6-14(7-5-13)12-20-16(8-9-17(20)21)18(22)19-11-15-3-2-10-23-15/h2-7,10,16H,8-9,11-12H2,1H3,(H,19,22)/t16-/m0/s1

InChI Key

ZXZBTRYWNWCLQI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15101778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.310

Distribution Coefficient, logD

2.310

Water Solubility, LogSw

-2.67

Polar Surface Area

42.446

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

K786-7828 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K786-7828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-7828?
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What is the minimum amount of K786-7828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-7828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-7828
  • 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 K786-7828 available by request