C663-0720 Screening compound: ethyl 2-{[4-(4-chlorophenyl)-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

C663-0720 Screening compound: ethyl 2-{[4-(4-chlorophenyl)-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
C663-0720 Screening compound: ethyl 2-{[4-(4-chlorophenyl)-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C663-0720
ethyl 2-{[4-(4-chlorophenyl)-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

C663-0720

Molecular Formula

C17H16ClN5O2S2 (C17 H16 ClN5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CSc1nnc(CSc2ncccn2)n1-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C17H16ClN5O2S2/c1-2-25-15(24)11-27-17-22-21-14(10-26-16-19-8-3-9-20-16)23(17)13-6-4-12(18)5-7-13/h3-9H,2,10-11H2,1H3

InChI Key

SADYLBOYSUHWQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05012711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.004

Distribution Coefficient, logD

3.004

Water Solubility, LogSw

-3.31

Polar Surface Area

64.276

Acid Dissociation Constant (pKa)

19.96

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with C663-0720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C663-0720?
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What is the minimum amount of C663-0720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C663-0720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C663-0720
  • 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 C663-0720 available by request