C663-0728 Screening compound: methyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate

C663-0728 Screening compound: methyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
C663-0728 Screening compound: methyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C663-0728
methyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(2-phenylethyl)-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

C663-0728

Molecular Formula

C20H23N5O2S2 (C20 H23 N5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(SCc(n2CCc3ccccc3)nnc2SCC(OC)=O)nc(C)c1

InChI

InChI=1S/C20H23N5O2S2/c1-14-11-15(2)22-19(21-14)28-12-17-23-24-20(29-13-18(26)27-3)25(17)10-9-16-7-5-4-6-8-16/h4-8,11H,9-10,12-13H2,1-3H3

InChI Key

PWDBZRYYSSFJKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04473614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.926

Distribution Coefficient, logD

2.925

Water Solubility, LogSw

-3.18

Polar Surface Area

62.680

Acid Dissociation Constant (pKa)

19.26

Base Dissociation Constant (pKb)

4.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C663-0728 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 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 C663-0728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C663-0728?
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What is the minimum amount of C663-0728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C663-0728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C663-0728
  • 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 C663-0728 available by request