C663-0693 Screening compound: ethyl 2-({4-methyl-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate

C663-0693 Screening compound: ethyl 2-({4-methyl-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
C663-0693 Screening compound: ethyl 2-({4-methyl-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C663-0693
ethyl 2-({4-methyl-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate

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

C663-0693

Molecular Formula

C12H15N5O2S2 (C12 H15 N5 O2 S2)

Compound Name

ethyl 2-({4-methyl-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate

IUPAC name

ethyl 2-({4-methyl-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H-124-triazol-3-yl}sulfanyl)acetate

SMILES

CCOC(CSc1nnc(CSc2ncccn2)n1C)=O

InChI

InChI=1S/C12H15N5O2S2/c1-3-19-10(18)8-21-12-16-15-9(17(12)2)7-20-11-13-5-4-6-14-11/h4-6H,3,7-8H2,1-2H3

InChI Key

OXJALGPELAKCDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05012694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.837

Distribution Coefficient, logD

0.835

Water Solubility, LogSw

-1.42

Polar Surface Area

64.615

Acid Dissociation Constant (pKa)

19.84

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C663-0693 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C663-0693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C663-0693?
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What is the minimum amount of C663-0693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C663-0693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C663-0693
  • 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 C663-0693 available by request