K783-6279 Screening compound: methyl 3-[(2-{[2-(4-pyridyl)ethyl]sulfanyl}acetyl)amino]-2-thiophenecarboxylate

K783-6279 Screening compound: methyl 3-[(2-{[2-(4-pyridyl)ethyl]sulfanyl}acetyl)amino]-2-thiophenecarboxylate
K783-6279 Screening compound: methyl 3-[(2-{[2-(4-pyridyl)ethyl]sulfanyl}acetyl)amino]-2-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-6279
methyl 3-[(2-{[2-(4-pyridyl)ethyl]sulfanyl}acetyl)amino]-2-thiophenecarboxylate

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

K783-6279

Molecular Formula

C15H16N2O3S2 (C15 H16 N2 O3 S2)

Compound Name

methyl 3-[(2-{[2-(4-pyridyl)ethyl]sulfanyl}acetyl)amino]-2-thiophenecarboxylate

IUPAC name

methyl 3-(2-{[2-(pyridin-4-yl)ethyl]sulfanyl}acetamido)thiophene-2-carboxylate

SMILES

COC(c(scc1)c1NC(CSCCc1ccncc1)=O)=O

InChI

InChI=1S/C15H16N2O3S2/c1-20-15(19)14-12(5-9-22-14)17-13(18)10-21-8-4-11-2-6-16-7-3-11/h2-3,5-7,9H,4,8,10H2,1H3,(H,17,18)

InChI Key

GSMNMDKIHMXLEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15096369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.041

Distribution Coefficient, logD

1.853

Water Solubility, LogSw

-2.30

Polar Surface Area

54.039

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

K783-6279 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K783-6279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-6279?
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What is the minimum amount of K783-6279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-6279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-6279
  • 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 K783-6279 available by request