8017-4576 Screening compound: 2-[5-(2-fluorophenyl)-2H-1,2,3,4-tetraazol-2-yl]-N~1~-[4-(morpholinocarbonyl)phenyl]acetamide

8017-4576 Screening compound: 2-[5-(2-fluorophenyl)-2H-1,2,3,4-tetraazol-2-yl]-N~1~-[4-(morpholinocarbonyl)phenyl]acetamide
8017-4576 Screening compound: 2-[5-(2-fluorophenyl)-2H-1,2,3,4-tetraazol-2-yl]-N~1~-[4-(morpholinocarbonyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4576
2-[5-(2-fluorophenyl)-2H-1,2,3,4-tetraazol-2-yl]-N~1~-[4-(morpholinocarbonyl)phenyl]acetamide

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

8017-4576

Molecular Formula

C20H19FN6O3 (C20 H19 FN6 O3)

Compound Name

2-[5-(2-fluorophenyl)-2H-1,2,3,4-tetraazol-2-yl]-N~1~-[4-(morpholinocarbonyl)phenyl]acetamide

IUPAC name

2-[5-(2-fluorophenyl)-2H-1234-tetrazol-2-yl]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide

SMILES

O=C(Cn1nnc(-c(cccc2)c2F)n1)Nc(cc1)ccc1C(N1CCOCC1)=O

InChI

InChI=1S/C20H19FN6O3/c21-17-4-2-1-3-16(17)19-23-25-27(24-19)13-18(28)22-15-7-5-14(6-8-15)20(29)26-9-11-30-12-10-26/h1-8H,9-13H2,(H,22,28)

InChI Key

YAVDLTHIFWEDHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06001940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.344

Distribution Coefficient, logD

1.344

Water Solubility, LogSw

-2.38

Polar Surface Area

86.048

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8017-4576 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

PI3K-Targeted Library (17255 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8017-4576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4576?
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What is the minimum amount of 8017-4576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4576
  • 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 8017-4576 available by request