C109-0647 Screening compound: 6-bromo-3-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

C109-0647 Screening compound: 6-bromo-3-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
C109-0647 Screening compound: 6-bromo-3-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0647
6-bromo-3-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-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

C109-0647

Molecular Formula

C19H20BrClN4O3 (C19 H20 BrClN4 O3)

Compound Name

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

IUPAC name

6-bromo-3-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1234-tetrahydroquinazoline-4-carboxamide

SMILES

CN(C)CCNC(C(c(cc(cc1)Br)c1N1)(N(c(cc2)ccc2Cl)C1=O)O)=O

InChI

InChI=1S/C19H20BrClN4O3/c1-24(2)10-9-22-17(26)19(28)15-11-12(20)3-8-16(15)23-18(27)25(19)14-6-4-13(21)5-7-14/h3-8,11,28H,9-10H2,1-2H3,(H,22,26)(H,23,27)/t19-/m1/s1

InChI Key

SADQVEJMTUZHLK-LJQANCHMSA-N

MDL Number (MFCD)

MFCD05031443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.126

Distribution Coefficient, logD

1.526

Water Solubility, LogSw

-3.56

Polar Surface Area

71.084

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

8.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

C109-0647 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
  • 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 C109-0647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0647?
Check Price and Availability of C109-0647, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C109-0647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0647
  • 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 C109-0647 available by request