V031-2977 Screening compound: 1-(3-methylphenyl)-5-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazole-3-carboxamide

V031-2977 Screening compound: 1-(3-methylphenyl)-5-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazole-3-carboxamide
V031-2977 Screening compound: 1-(3-methylphenyl)-5-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2977
1-(3-methylphenyl)-5-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazole-3-carboxamide

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

V031-2977

Molecular Formula

C26H24N4O (C26 H24 N4 O)

Compound Name

1-(3-methylphenyl)-5-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazole-3-carboxamide

IUPAC name

1-(3-methylphenyl)-5-phenyl-N-(1234-tetrahydronaphthalen-1-yl)-1H-124-triazole-3-carboxamide

SMILES

Cc1cccc(-n2nc(C(NC(CCC3)c4c3cccc4)=O)nc2-c2ccccc2)c1

InChI

InChI=1S/C26H24N4O/c1-18-9-7-14-21(17-18)30-25(20-11-3-2-4-12-20)28-24(29-30)26(31)27-23-16-8-13-19-10-5-6-15-22(19)23/h2-7,9-12,14-15,17,23H,8,13,16H2,1H3,(H,27,31)/t23-/m0/s1

InChI Key

PKRFZZVDQWKSHR-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14287227

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

408.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.924

Distribution Coefficient, logD

5.924

Water Solubility, LogSw

-5.47

Polar Surface Area

48.146

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

V031-2977 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 V031-2977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2977?
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What is the minimum amount of V031-2977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2977
  • 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 V031-2977 available by request