D731-0039 Screening compound: 1-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide

D731-0039 Screening compound: 1-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
D731-0039 Screening compound: 1-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0039
1-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]-5-(propan-2-yl)-1H-1,2,3-triazole-4-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

D731-0039

Molecular Formula

C18H24N4O2 (C18 H24 N4 O2)

Compound Name

1-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]-5-(propan-2-yl)-1H-123-triazole-4-carboxamide

SMILES

CC(C)c1c(C(NCC2OCCC2)=O)nnn1-c1ccc(C)cc1

InChI

InChI=1S/C18H24N4O2/c1-12(2)17-16(18(23)19-11-15-5-4-10-24-15)20-21-22(17)14-8-6-13(3)7-9-14/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,19,23)/t15-/m1/s1

InChI Key

NIGSCXQCYHNWAT-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD11843136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.776

Distribution Coefficient, logD

2.776

Water Solubility, LogSw

-3.09

Polar Surface Area

59.179

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with D731-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0039?
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What is the minimum amount of D731-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0039
  • 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 D731-0039 available by request