C663-0736 Screening compound: methyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate

C663-0736 Screening compound: methyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
C663-0736 Screening compound: methyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C663-0736
methyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-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

C663-0736

Molecular Formula

C19H21N5O3S2 (C19 H21 N5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(SCc(n2-c(cc3)ccc3OC)nnc2SCC(OC)=O)nc(C)c1

InChI

InChI=1S/C19H21N5O3S2/c1-12-9-13(2)21-18(20-12)28-10-16-22-23-19(29-11-17(25)27-4)24(16)14-5-7-15(26-3)8-6-14/h5-9H,10-11H2,1-4H3

InChI Key

CYPQYVCAGXEKJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02572773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.552

Distribution Coefficient, logD

2.552

Water Solubility, LogSw

-2.84

Polar Surface Area

70.989

Acid Dissociation Constant (pKa)

19.38

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with C663-0736 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C663-0736?
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What is the minimum amount of C663-0736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C663-0736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C663-0736
  • 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 C663-0736 available by request