D437-0599 Screening compound: N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

D437-0599 Screening compound: N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
D437-0599 Screening compound: N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D437-0599
N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]thiophene-2-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

D437-0599

Molecular Formula

C17H13N3O3S2 (C17 H13 N3 O3 S2)

Compound Name

N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

IUPAC name

N-[4-(2-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)-13-thiazol-2-yl]thiophene-2-carboxamide

SMILES

CC1Oc(ccc(-c2csc(NC(c3cccs3)=O)n2)c2)c2NC1=O

InChI

InChI=1S/C17H13N3O3S2/c1-9-15(21)18-11-7-10(4-5-13(11)23-9)12-8-25-17(19-12)20-16(22)14-3-2-6-24-14/h2-9H,1H3,(H,18,21)(H,19,20,22)/t9-/m1/s1

InChI Key

FEIGGAQYTQAUSV-SECBINFHSA-N

MDL Number (MFCD)

MFCD10088417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

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

3.980

Distribution Coefficient, logD

3.980

Water Solubility, LogSw

-4.12

Polar Surface Area

66.731

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

D437-0599 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D437-0599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D437-0599?
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What is the minimum amount of D437-0599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D437-0599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D437-0599
  • 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 D437-0599 available by request