8017-0310 Screening compound: N~1~-(2,4-dichlorophenyl)-3-(1H-1,2,3,4-tetraazol-1-yl)propanamide

8017-0310 Screening compound: N~1~-(2,4-dichlorophenyl)-3-(1H-1,2,3,4-tetraazol-1-yl)propanamide
8017-0310 Screening compound: N~1~-(2,4-dichlorophenyl)-3-(1H-1,2,3,4-tetraazol-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0310
N~1~-(2,4-dichlorophenyl)-3-(1H-1,2,3,4-tetraazol-1-yl)propanamide

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

8017-0310

Molecular Formula

C10H9Cl2N5O (C10 H9 Cl2 N5 O)

Compound Name

N~1~-(2,4-dichlorophenyl)-3-(1H-1,2,3,4-tetraazol-1-yl)propanamide

IUPAC name

N-(24-dichlorophenyl)-3-(1H-1234-tetrazol-1-yl)propanamide

SMILES

O=C(CCn1nnnc1)Nc(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C10H9Cl2N5O/c11-7-1-2-9(8(12)5-7)14-10(18)3-4-17-6-13-15-16-17/h1-2,5-6H,3-4H2,(H,14,18)

InChI Key

NCBLHBNHFIKCTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02828112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.12

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.852

Distribution Coefficient, logD

1.839

Water Solubility, LogSw

-2.81

Polar Surface Area

62.582

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8017-0310 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 8017-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0310?
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What is the minimum amount of 8017-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0310
  • 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 8017-0310 available by request