K788-0129 Screening compound: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide

K788-0129 Screening compound: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide
K788-0129 Screening compound: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0129
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-methylphenyl)ethyl]quinoline-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

K788-0129

Molecular Formula

C22H20N4OS2 (C22 H20 N4 OS2)

Compound Name

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide

IUPAC name

2-[(5-methyl-134-thiadiazol-2-yl)sulfanyl]-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide

SMILES

Cc1nnc(Sc2nc3ccccc3c(C(NCCc3ccc(C)cc3)=O)c2)s1

InChI

InChI=1S/C22H20N4OS2/c1-14-7-9-16(10-8-14)11-12-23-21(27)18-13-20(29-22-26-25-15(2)28-22)24-19-6-4-3-5-17(18)19/h3-10,13H,11-12H2,1-2H3,(H,23,27)

InChI Key

ZTGRUSFORWCKDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.810

Distribution Coefficient, logD

4.810

Water Solubility, LogSw

-4.67

Polar Surface Area

54.585

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with K788-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0129?
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What is the minimum amount of K788-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0129
  • 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 K788-0129 available by request