V030-9609 Screening compound: 2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one

V030-9609 Screening compound: 2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
V030-9609 Screening compound: 2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-9609
2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one

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

V030-9609

Molecular Formula

C15H17ClN4O2S (C15 H17 ClN4 O2 S)

Compound Name

2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one

IUPAC name

2-{[4-(3-chlorophenyl)-5-methyl-4H-124-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one

SMILES

Cc(n1-c2cccc(Cl)c2)nnc1SCC(N1CCOCC1)=O

InChI

InChI=1S/C15H17ClN4O2S/c1-11-17-18-15(20(11)13-4-2-3-12(16)9-13)23-10-14(21)19-5-7-22-8-6-19/h2-4,9H,5-8,10H2,1H3

InChI Key

KLXPNMURQBAPBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19717464

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

352.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.352

Distribution Coefficient, logD

1.352

Water Solubility, LogSw

-2.61

Polar Surface Area

50.062

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V030-9609 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V030-9609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-9609?
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What is the minimum amount of V030-9609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-9609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-9609
  • 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 V030-9609 available by request