D731-0061 Screening compound: N-butyl-1-(3-methylphenyl)-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide

D731-0061 Screening compound: N-butyl-1-(3-methylphenyl)-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
D731-0061 Screening compound: N-butyl-1-(3-methylphenyl)-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0061
N-butyl-1-(3-methylphenyl)-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

D731-0061

Molecular Formula

C17H24N4O (C17 H24 N4 O)

Compound Name

N-butyl-1-(3-methylphenyl)-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-butyl-1-(3-methylphenyl)-5-(propan-2-yl)-1H-123-triazole-4-carboxamide

SMILES

CCCCNC(c1c(C(C)C)n(-c2cc(C)ccc2)nn1)=O

InChI

InChI=1S/C17H24N4O/c1-5-6-10-18-17(22)15-16(12(2)3)21(20-19-15)14-9-7-8-13(4)11-14/h7-9,11-12H,5-6,10H2,1-4H3,(H,18,22)

InChI Key

JSWOGCLVNDZPKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11842655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.108

Distribution Coefficient, logD

4.108

Water Solubility, LogSw

-4.05

Polar Surface Area

50.637

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

D731-0061 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D731-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0061?
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What is the minimum amount of D731-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0061
  • 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 D731-0061 available by request