D437-0122 Screening compound: 3,4-dimethoxy-N-[4-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide

D437-0122 Screening compound: 3,4-dimethoxy-N-[4-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
D437-0122 Screening compound: 3,4-dimethoxy-N-[4-(4-methyl-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 D437-0122
3,4-dimethoxy-N-[4-(4-methyl-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

D437-0122

Molecular Formula

C21H19N3O5S (C21 H19 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CN1c(cc(cc2)-c3csc(NC(c(cc4)cc(OC)c4OC)=O)n3)c2OCC1=O

InChI

InChI=1S/C21H19N3O5S/c1-24-15-8-12(4-6-16(15)29-10-19(24)25)14-11-30-21(22-14)23-20(26)13-5-7-17(27-2)18(9-13)28-3/h4-9,11H,10H2,1-3H3,(H,22,23,26)

InChI Key

MWQHJWVQOHTCAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10088309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.948

Distribution Coefficient, logD

2.948

Water Solubility, LogSw

-3.54

Polar Surface Area

72.232

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D437-0122 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D437-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D437-0122?
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What is the minimum amount of D437-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D437-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D437-0122
  • 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 D437-0122 available by request