8017-6662 Screening compound: N~1~-(4-acetylphenyl)-2-{[5-(2-quinolyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide

8017-6662 Screening compound: N~1~-(4-acetylphenyl)-2-{[5-(2-quinolyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide
8017-6662 Screening compound: N~1~-(4-acetylphenyl)-2-{[5-(2-quinolyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6662
N~1~-(4-acetylphenyl)-2-{[5-(2-quinolyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide

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

8017-6662

Molecular Formula

C21H16N4O2S2 (C21 H16 N4 O2 S2)

Compound Name

N~1~-(4-acetylphenyl)-2-{[5-(2-quinolyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide

IUPAC name

n/a

SMILES

CC(c(cc1)ccc1NC(CSc1nnc(-c2nc3ccccc3cc2)s1)=O)=O

InChI

InChI=1S/C21H16N4O2S2/c1-13(26)14-6-9-16(10-7-14)22-19(27)12-28-21-25-24-20(29-21)18-11-8-15-4-2-3-5-17(15)23-18/h2-11H,12H2,1H3,(H,22,27)

InChI Key

UJVUSJHDBKXPOK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.986

Distribution Coefficient, logD

3.986

Water Solubility, LogSw

-4.35

Polar Surface Area

67.867

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 8017-6662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6662?
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What is the minimum amount of 8017-6662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6662
  • 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 8017-6662 available by request