C663-0743 Screening compound: ethyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate

C663-0743 Screening compound: ethyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
C663-0743 Screening compound: ethyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C663-0743
ethyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-ethoxyphenyl)-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

C663-0743

Molecular Formula

C21H25N5O3S2 (C21 H25 N5 O3 S2)

Compound Name

ethyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate

IUPAC name

ethyl 2-[(5-{[(46-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-ethoxyphenyl)-4H-124-triazol-3-yl)sulfanyl]acetate

SMILES

CCOC(CSc1nnc(CSc2nc(C)cc(C)n2)n1-c(cc1)ccc1OCC)=O

InChI

InChI=1S/C21H25N5O3S2/c1-5-28-17-9-7-16(8-10-17)26-18(12-30-20-22-14(3)11-15(4)23-20)24-25-21(26)31-13-19(27)29-6-2/h7-11H,5-6,12-13H2,1-4H3

InChI Key

WYVDKUZCDRLSPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05012716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

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

3.530

Distribution Coefficient, logD

3.530

Water Solubility, LogSw

-3.59

Polar Surface Area

70.149

Acid Dissociation Constant (pKa)

19.96

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with C663-0743 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C663-0743?
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What is the minimum amount of C663-0743 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C663-0743
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C663-0743
  • 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 C663-0743 available by request