C109-0694 Screening compound: 6-bromo-N-[2-(diethylamino)ethyl]-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

C109-0694 Screening compound: 6-bromo-N-[2-(diethylamino)ethyl]-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
C109-0694 Screening compound: 6-bromo-N-[2-(diethylamino)ethyl]-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0694
6-bromo-N-[2-(diethylamino)ethyl]-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-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

C109-0694

Molecular Formula

C23H29BrN4O3 (C23 H29 BrN4 O3)

Compound Name

6-bromo-N-[2-(diethylamino)ethyl]-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

IUPAC name

6-bromo-N-[2-(diethylamino)ethyl]-3-(34-dimethylphenyl)-4-hydroxy-2-oxo-1234-tetrahydroquinazoline-4-carboxamide

SMILES

CCN(CC)CCNC(C(c(cc(cc1)Br)c1N1)(N(c2cc(C)c(C)cc2)C1=O)O)=O

InChI

InChI=1S/C23H29BrN4O3/c1-5-27(6-2)12-11-25-21(29)23(31)19-14-17(24)8-10-20(19)26-22(30)28(23)18-9-7-15(3)16(4)13-18/h7-10,13-14,31H,5-6,11-12H2,1-4H3,(H,25,29)(H,26,30)/t23-/m1/s1

InChI Key

QAESPSSMYVLMRN-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14720233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.544

Distribution Coefficient, logD

2.642

Water Solubility, LogSw

-4.06

Polar Surface Area

70.629

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

9.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

C109-0694 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 C109-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0694?
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What is the minimum amount of C109-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0694
  • 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 C109-0694 available by request