D296-0071 Screening compound: 1-(4-methoxyphenyl)-N-{2-[3-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]ethyl}-1H-1,2,3-triazole-4-carboxamide

D296-0071 Screening compound: 1-(4-methoxyphenyl)-N-{2-[3-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]ethyl}-1H-1,2,3-triazole-4-carboxamide
D296-0071 Screening compound: 1-(4-methoxyphenyl)-N-{2-[3-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]ethyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D296-0071
1-(4-methoxyphenyl)-N-{2-[3-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]ethyl}-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

D296-0071

Molecular Formula

C19H18N8O3 (C19 H18 N8 O3)

Compound Name

1-(4-methoxyphenyl)-N-{2-[3-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]ethyl}-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-(4-methoxyphenyl)-N-{2-[3-(1H-1234-tetrazol-1-yl)phenoxy]ethyl}-1H-123-triazole-4-carboxamide

SMILES

COc(cc1)ccc1-n1nnc(C(NCCOc2cc(-n3nnnc3)ccc2)=O)c1

InChI

InChI=1S/C19H18N8O3/c1-29-16-7-5-14(6-8-16)26-12-18(22-24-26)19(28)20-9-10-30-17-4-2-3-15(11-17)27-13-21-23-25-27/h2-8,11-13H,9-10H2,1H3,(H,20,28)

InChI Key

ZGBCFDNNTZPFFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.297

Distribution Coefficient, logD

2.297

Water Solubility, LogSw

-2.90

Polar Surface Area

105.585

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with D296-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D296-0071?
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What is the minimum amount of D296-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D296-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D296-0071
  • 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 D296-0071 available by request