K784-5433 Screening compound: 6-bromo-4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-3-(4-ethoxyphenyl)-4-hydroxy-1,2,3,4-tetrahydroquinazolin-2-one

K784-5433 Screening compound: 6-bromo-4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-3-(4-ethoxyphenyl)-4-hydroxy-1,2,3,4-tetrahydroquinazolin-2-one
K784-5433 Screening compound: 6-bromo-4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-3-(4-ethoxyphenyl)-4-hydroxy-1,2,3,4-tetrahydroquinazolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5433
6-bromo-4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-3-(4-ethoxyphenyl)-4-hydroxy-1,2,3,4-tetrahydroquinazolin-2-one

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

K784-5433

Molecular Formula

C24H26BrN3O6 (C24 H26 BrN3 O6)

Compound Name

6-bromo-4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-3-(4-ethoxyphenyl)-4-hydroxy-1,2,3,4-tetrahydroquinazolin-2-one

IUPAC name

6-bromo-4-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-3-(4-ethoxyphenyl)-4-hydroxy-1234-tetrahydroquinazolin-2-one

SMILES

CCOc(cc1)ccc1N(C(C(N(CC1)CCC11OCCO1)=O)(c(cc(cc1)Br)c1N1)O)C1=O

InChI

InChI=1S/C24H26BrN3O6/c1-2-32-18-6-4-17(5-7-18)28-22(30)26-20-8-3-16(25)15-19(20)24(28,31)21(29)27-11-9-23(10-12-27)33-13-14-34-23/h3-8,15,31H,2,9-14H2,1H3,(H,26,30)/t24-/m1/s1

InChI Key

ROPRFSCZPFEENT-XMMPIXPASA-N

MDL Number (MFCD)

MFCD15098126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.214

Distribution Coefficient, logD

3.214

Water Solubility, LogSw

-3.45

Polar Surface Area

80.901

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

K784-5433 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K784-5433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5433?
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What is the minimum amount of K784-5433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5433
  • 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 K784-5433 available by request