C663-0706 Screening compound: methyl 2-{[4-(4-methoxyphenyl)-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate

C663-0706 Screening compound: methyl 2-{[4-(4-methoxyphenyl)-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
C663-0706 Screening compound: methyl 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 C663-0706
methyl 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

C663-0706

Molecular Formula

C19H21N5O3S2 (C19 H21 N5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H21N5O3S2/c1-4-15(17(25)27-3)29-19-23-22-16(12-28-18-20-10-5-11-21-18)24(19)13-6-8-14(26-2)9-7-13/h5-11,15H,4,12H2,1-3H3/t15-/m0/s1

InChI Key

IAMXFBCPZPSFGQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD04473565

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

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.033

Distribution Coefficient, logD

3.032

Water Solubility, LogSw

-3.27

Polar Surface Area

72.835

Acid Dissociation Constant (pKa)

17.38

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

C663-0706 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C663-0706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C663-0706?
Check Price and Availability of C663-0706, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C663-0706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C663-0706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C663-0706
  • 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 C663-0706 available by request