5632-0048 Screening compound: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-{[5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

5632-0048 Screening compound: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-{[5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
5632-0048 Screening compound: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-{[5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5632-0048
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-{[5-(2-methylpropyl)-4H-1,2,4-triazol-3-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

5632-0048

Molecular Formula

C14H22N6OS2 (C14 H22 N6 OS2)

Compound Name

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-{[5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-[5-(2-methylpropyl)-134-thiadiazol-2-yl]-2-{[5-(2-methylpropyl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

CC(C)Cc([nH]1)nnc1SCC(Nc1nnc(CC(C)C)s1)=O

InChI

InChI=1S/C14H22N6OS2/c1-8(2)5-10-15-13(19-17-10)22-7-11(21)16-14-20-18-12(23-14)6-9(3)4/h8-9H,5-7H2,1-4H3,(H,15,17,19)(H,16,20,21)

InChI Key

RGPKNBKLMLPZKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03613224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.921

Distribution Coefficient, logD

2.592

Water Solubility, LogSw

-3.22

Polar Surface Area

80.925

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.30

5632-0048 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5632-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5632-0048?
Check Price and Availability of 5632-0048, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5632-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5632-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5632-0048
  • 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 5632-0048 available by request