D437-0653 Screening compound: 3-bromo-N-[5-methyl-4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide

D437-0653 Screening compound: 3-bromo-N-[5-methyl-4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
D437-0653 Screening compound: 3-bromo-N-[5-methyl-4-(2-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 D437-0653
3-bromo-N-[5-methyl-4-(2-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

D437-0653

Molecular Formula

C20H16BrN3O3S (C20 H16 BrN3 O3 S)

Compound Name

3-bromo-N-[5-methyl-4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide

IUPAC name

3-bromo-N-[5-methyl-4-(2-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)-13-thiazol-2-yl]benzamide

SMILES

CC1Oc(ccc(-c2c(C)sc(NC(c3cccc(Br)c3)=O)n2)c2)c2NC1=O

InChI

InChI=1S/C20H16BrN3O3S/c1-10-18(25)22-15-9-12(6-7-16(15)27-10)17-11(2)28-20(23-17)24-19(26)13-4-3-5-14(21)8-13/h3-10H,1-2H3,(H,22,25)(H,23,24,26)/t10-/m1/s1

InChI Key

VXXQLZAXRDZYCT-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD10088440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.34

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

5.020

Distribution Coefficient, logD

4.965

Water Solubility, LogSw

-4.72

Polar Surface Area

66.483

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

D437-0653 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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

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

References: we are preparing a list of scientific research reports with D437-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D437-0653?
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What is the minimum amount of D437-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D437-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D437-0653
  • 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 D437-0653 available by request