D374-0046 Screening compound: N-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]naphthalene-1-carboxamide

D374-0046 Screening compound: N-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]naphthalene-1-carboxamide
D374-0046 Screening compound: N-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]naphthalene-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D374-0046
N-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]naphthalene-1-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

D374-0046

Molecular Formula

C18H13N5O (C18 H13 N5 O)

Compound Name

N-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]naphthalene-1-carboxamide

IUPAC name

N-[4-(1H-1234-tetrazol-1-yl)phenyl]naphthalene-1-carboxamide

SMILES

O=C(c1cccc2ccccc12)Nc(cc1)ccc1-n1nnnc1

InChI

InChI=1S/C18H13N5O/c24-18(17-7-3-5-13-4-1-2-6-16(13)17)20-14-8-10-15(11-9-14)23-12-19-21-22-23/h1-12H,(H,20,24)

InChI Key

HMLMSZXWSZZMHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12915450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.231

Distribution Coefficient, logD

3.231

Water Solubility, LogSw

-3.77

Polar Surface Area

62.823

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D374-0046 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D374-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D374-0046?
Check Price and Availability of D374-0046, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D374-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D374-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D374-0046
  • 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 D374-0046 available by request