K784-5436 Screening compound: 6-bromo-3-(3,4-dimethylphenyl)-4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-4-hydroxy-1,2,3,4-tetrahydroquinazolin-2-one

K784-5436 Screening compound: 6-bromo-3-(3,4-dimethylphenyl)-4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-4-hydroxy-1,2,3,4-tetrahydroquinazolin-2-one
K784-5436 Screening compound: 6-bromo-3-(3,4-dimethylphenyl)-4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-4-hydroxy-1,2,3,4-tetrahydroquinazolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5436
6-bromo-3-(3,4-dimethylphenyl)-4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-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

K784-5436

Molecular Formula

C24H26BrN3O5 (C24 H26 BrN3 O5)

Compound Name

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

IUPAC name

6-bromo-3-(34-dimethylphenyl)-4-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-4-hydroxy-1234-tetrahydroquinazolin-2-one

SMILES

Cc(cc1)c(C)cc1N(C(C(N(CC1)CCC11OCCO1)=O)(c(cc(cc1)Br)c1N1)O)C1=O

InChI

InChI=1S/C24H26BrN3O5/c1-15-3-5-18(13-16(15)2)28-22(30)26-20-6-4-17(25)14-19(20)24(28,31)21(29)27-9-7-23(8-10-27)32-11-12-33-23/h3-6,13-14,31H,7-12H2,1-2H3,(H,26,30)/t24-/m1/s1

InChI Key

SDJZCHVBGKJERE-XMMPIXPASA-N

MDL Number (MFCD)

MFCD15098128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.978

Distribution Coefficient, logD

3.978

Water Solubility, LogSw

-4.00

Polar Surface Area

73.777

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

K784-5436 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K784-5436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5436?
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What is the minimum amount of K784-5436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5436
  • 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 K784-5436 available by request