C663-0707 Screening compound: methyl 2-{[4-(4-methoxyphenyl)-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

C663-0707 Screening compound: methyl 2-{[4-(4-methoxyphenyl)-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
C663-0707 Screening compound: methyl 2-{[4-(4-methoxyphenyl)-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C663-0707
methyl 2-{[4-(4-methoxyphenyl)-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

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

C663-0707

Molecular Formula

C18H19N5O3S2 (C18 H19 N5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H19N5O3S2/c1-12(16(24)26-3)28-18-22-21-15(11-27-17-19-9-4-10-20-17)23(18)13-5-7-14(25-2)8-6-13/h4-10,12H,11H2,1-3H3/t12-/m0/s1

InChI Key

UUOVFUFPBVYSBG-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD04473566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

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

2.516

Distribution Coefficient, logD

2.515

Water Solubility, LogSw

-2.55

Polar Surface Area

72.835

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

C663-0707 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C663-0707 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C663-0707?
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What is the minimum amount of C663-0707 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C663-0707
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C663-0707
  • 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 C663-0707 available by request