C663-0705 Screening compound: ethyl 2-{[4-(4-methoxyphenyl)-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate

C663-0705 Screening compound: ethyl 2-{[4-(4-methoxyphenyl)-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
C663-0705 Screening compound: ethyl 2-{[4-(4-methoxyphenyl)-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C663-0705
ethyl 2-{[4-(4-methoxyphenyl)-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate

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

C663-0705

Molecular Formula

C20H23N5O3S2 (C20 H23 N5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(OCC)=O)Sc1nnc(CSc2ncccn2)n1-c(cc1)ccc1OC

InChI

InChI=1S/C20H23N5O3S2/c1-4-16(18(26)28-5-2)30-20-24-23-17(13-29-19-21-11-6-12-22-19)25(20)14-7-9-15(27-3)10-8-14/h6-12,16H,4-5,13H2,1-3H3/t16-/m0/s1

InChI Key

HVIWNUZOOUUPTG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04473564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.455

Distribution Coefficient, logD

3.455

Water Solubility, LogSw

-3.64

Polar Surface Area

72.415

Acid Dissociation Constant (pKa)

17.96

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with C663-0705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C663-0705?
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What is the minimum amount of C663-0705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C663-0705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C663-0705
  • 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 C663-0705 available by request