D296-0063 Screening compound: N-[1-(2H-1,3-benzodioxol-5-yloxy)propan-2-yl]-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide

D296-0063 Screening compound: N-[1-(2H-1,3-benzodioxol-5-yloxy)propan-2-yl]-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
D296-0063 Screening compound: N-[1-(2H-1,3-benzodioxol-5-yloxy)propan-2-yl]-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D296-0063
N-[1-(2H-1,3-benzodioxol-5-yloxy)propan-2-yl]-1-(4-fluorophenyl)-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

D296-0063

Molecular Formula

C19H17FN4O4 (C19 H17 FN4 O4)

Compound Name

N-[1-(2H-1,3-benzodioxol-5-yloxy)propan-2-yl]-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-[1-(2H-13-benzodioxol-5-yloxy)propan-2-yl]-1-(4-fluorophenyl)-1H-123-triazole-4-carboxamide

SMILES

CC(COc(cc1)cc2c1OCO2)NC(c1cn(-c(cc2)ccc2F)nn1)=O

InChI

InChI=1S/C19H17FN4O4/c1-12(10-26-15-6-7-17-18(8-15)28-11-27-17)21-19(25)16-9-24(23-22-16)14-4-2-13(20)3-5-14/h2-9,12H,10-11H2,1H3,(H,21,25)/t12-/m0/s1

InChI Key

GVTUVUNYGWVYQI-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14817032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.660

Distribution Coefficient, logD

2.660

Water Solubility, LogSw

-3.09

Polar Surface Area

75.073

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with D296-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D296-0063?
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What is the minimum amount of D296-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D296-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D296-0063
  • 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 D296-0063 available by request