C109-0168 Screening compound: 3-(3,4-dichlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

C109-0168 Screening compound: 3-(3,4-dichlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
C109-0168 Screening compound: 3-(3,4-dichlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0168
3-(3,4-dichlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-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

C109-0168

Molecular Formula

C22H24Cl2N4O3 (C22 H24 Cl2 N4 O3)

Compound Name

3-(3,4-dichlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

IUPAC name

3-(34-dichlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-oxo-1234-tetrahydroquinazoline-4-carboxamide

SMILES

CCN1C(CNC(C(c(cccc2)c2N2)(N(c(cc3)cc(Cl)c3Cl)C2=O)O)=O)CCC1

InChI

InChI=1S/C22H24Cl2N4O3/c1-2-27-11-5-6-15(27)13-25-20(29)22(31)16-7-3-4-8-19(16)26-21(30)28(22)14-9-10-17(23)18(24)12-14/h3-4,7-10,12,15,31H,2,5-6,11,13H2,1H3,(H,25,29)(H,26,30)

InChI Key

MSWPKETUEDUQGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.36

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

3.595

Distribution Coefficient, logD

2.358

Water Solubility, LogSw

-3.78

Polar Surface Area

71.012

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

8.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

C109-0168 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C109-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0168?
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What is the minimum amount of C109-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0168
  • 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 C109-0168 available by request