D437-0045 Screening compound: 4-fluoro-N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide

D437-0045 Screening compound: 4-fluoro-N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
D437-0045 Screening compound: 4-fluoro-N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D437-0045
4-fluoro-N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide

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

D437-0045

Molecular Formula

C18H12FN3O3S (C18 H12 FN3 O3 S)

Compound Name

4-fluoro-N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide

IUPAC name

4-fluoro-N-[4-(3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)-13-thiazol-2-yl]benzamide

SMILES

O=C(c(cc1)ccc1F)Nc1nc(-c(cc2)cc(N3)c2OCC3=O)cs1

InChI

InChI=1S/C18H12FN3O3S/c19-12-4-1-10(2-5-12)17(24)22-18-21-14(9-26-18)11-3-6-15-13(7-11)20-16(23)8-25-15/h1-7,9H,8H2,(H,20,23)(H,21,22,24)

InChI Key

NUKMIEWZBWEXJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10088295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.537

Distribution Coefficient, logD

3.531

Water Solubility, LogSw

-3.89

Polar Surface Area

66.375

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

D437-0045 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Glucocorticoid receptors Library (4806 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Epigenetics Focused Set (26518 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Nuclear receptors
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D437-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D437-0045?
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What is the minimum amount of D437-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D437-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D437-0045
  • 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 D437-0045 available by request