K788-9851 Screening compound: methyl 3-(3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamido)thiophene-2-carboxylate

K788-9851 Screening compound: methyl 3-(3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamido)thiophene-2-carboxylate
K788-9851 Screening compound: methyl 3-(3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamido)thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9851
methyl 3-(3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamido)thiophene-2-carboxylate

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

K788-9851

Molecular Formula

C16H18N2O3S2 (C16 H18 N2 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

COC(c(scc1)c1NC(CCSCCc1ncccc1)=O)=O

InChI

InChI=1S/C16H18N2O3S2/c1-21-16(20)15-13(6-11-23-15)18-14(19)7-10-22-9-5-12-4-2-3-8-17-12/h2-4,6,8,11H,5,7,9-10H2,1H3,(H,18,19)

InChI Key

MTDCMIARCBRHRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.228

Distribution Coefficient, logD

2.193

Water Solubility, LogSw

-2.66

Polar Surface Area

54.154

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with K788-9851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9851?
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What is the minimum amount of K788-9851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9851
  • 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 K788-9851 available by request