C109-0198 Screening compound: 3-(4-ethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

C109-0198 Screening compound: 3-(4-ethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
C109-0198 Screening compound: 3-(4-ethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0198
3-(4-ethoxyphenyl)-N-(3-ethoxypropyl)-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

C109-0198

Molecular Formula

C22H27N3O5 (C22 H27 N3 O5)

Compound Name

3-(4-ethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

IUPAC name

3-(4-ethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxy-2-oxo-1234-tetrahydroquinazoline-4-carboxamide

SMILES

CCOCCCNC(C(c(cccc1)c1N1)(N(c(cc2)ccc2OCC)C1=O)O)=O

InChI

InChI=1S/C22H27N3O5/c1-3-29-15-7-14-23-20(26)22(28)18-8-5-6-9-19(18)24-21(27)25(22)16-10-12-17(13-11-16)30-4-2/h5-6,8-13,28H,3-4,7,14-15H2,1-2H3,(H,23,26)(H,24,27)/t22-/m1/s1

InChI Key

JXZWKJLAMBLJMP-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14720104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.626

Distribution Coefficient, logD

2.626

Water Solubility, LogSw

-3.27

Polar Surface Area

82.319

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

C109-0198 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C109-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0198?
Check Price and Availability of C109-0198, 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 C109-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0198
  • 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 C109-0198 available by request