D437-0601 Screening compound: N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

D437-0601 Screening compound: N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
D437-0601 Screening compound: N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D437-0601
N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pyridine-3-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

D437-0601

Molecular Formula

C18H14N4O3S (C18 H14 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC1Oc(ccc(-c2csc(NC(c3cnccc3)=O)n2)c2)c2NC1=O

InChI

InChI=1S/C18H14N4O3S/c1-10-16(23)20-13-7-11(4-5-15(13)25-10)14-9-26-18(21-14)22-17(24)12-3-2-6-19-8-12/h2-10H,1H3,(H,20,23)(H,21,22,24)/t10-/m1/s1

InChI Key

QRSGDZRWYOEPJR-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD09982394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.879

Distribution Coefficient, logD

2.878

Water Solubility, LogSw

-3.33

Polar Surface Area

75.231

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

D437-0601 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D437-0601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D437-0601?
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What is the minimum amount of D437-0601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D437-0601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D437-0601
  • 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 D437-0601 available by request