C109-0886 Screening compound: 6-bromo-N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

C109-0886 Screening compound: 6-bromo-N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
C109-0886 Screening compound: 6-bromo-N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0886
6-bromo-N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)-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

C109-0886

Molecular Formula

C22H27BrN4O4 (C22 H27 BrN4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N(C(C(NCCCN(C)C)=O)(c(cc(cc1)Br)c1N1)O)C1=O

InChI

InChI=1S/C22H27BrN4O4/c1-4-31-17-9-7-16(8-10-17)27-21(29)25-19-11-6-15(23)14-18(19)22(27,30)20(28)24-12-5-13-26(2)3/h6-11,14,30H,4-5,12-13H2,1-3H3,(H,24,28)(H,25,29)/t22-/m1/s1

InChI Key

PCJXVNOJOOIBPZ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14720300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.907

Distribution Coefficient, logD

0.435

Water Solubility, LogSw

-3.40

Polar Surface Area

78.207

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

9.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

C109-0886 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C109-0886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0886?
Check Price and Availability of C109-0886, 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 C109-0886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0886
  • 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 C109-0886 available by request