8008-2196 Screening compound: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

8008-2196 Screening compound: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
8008-2196 Screening compound: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-2196
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)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

8008-2196

Molecular Formula

C13H17N5OS2 (C13 H17 N5 OS2)

Compound Name

2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

IUPAC name

2-[(46-dimethylpyrimidin-2-yl)sulfanyl]-N-(5-propyl-134-thiadiazol-2-yl)acetamide

SMILES

CCCc1nnc(NC(CSc2nc(C)cc(C)n2)=O)s1

InChI

InChI=1S/C13H17N5OS2/c1-4-5-11-17-18-13(21-11)16-10(19)7-20-12-14-8(2)6-9(3)15-12/h6H,4-5,7H2,1-3H3,(H,16,18,19)

InChI Key

KSQTWSGKNRZXHB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.722

Distribution Coefficient, logD

2.677

Water Solubility, LogSw

-2.90

Polar Surface Area

64.063

Acid Dissociation Constant (pKa)

8.36

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with 8008-2196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-2196?
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What is the minimum amount of 8008-2196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-2196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-2196
  • 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 8008-2196 available by request