C109-0383 Screening compound: 3-(3,4-dichlorophenyl)-4-hydroxy-N~4~-[3-(2-methylpiperidino)propyl]-2-oxo-1,2,3,4-tetrahydro-4-quinazolinecarboxamide

C109-0383 Screening compound: 3-(3,4-dichlorophenyl)-4-hydroxy-N~4~-[3-(2-methylpiperidino)propyl]-2-oxo-1,2,3,4-tetrahydro-4-quinazolinecarboxamide
C109-0383 Screening compound: 3-(3,4-dichlorophenyl)-4-hydroxy-N~4~-[3-(2-methylpiperidino)propyl]-2-oxo-1,2,3,4-tetrahydro-4-quinazolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0383
3-(3,4-dichlorophenyl)-4-hydroxy-N~4~-[3-(2-methylpiperidino)propyl]-2-oxo-1,2,3,4-tetrahydro-4-quinazolinecarboxamide

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

C109-0383

Molecular Formula

C24H28Cl2N4O3 (C24 H28 Cl2 N4 O3)

Compound Name

3-(3,4-dichlorophenyl)-4-hydroxy-N~4~-[3-(2-methylpiperidino)propyl]-2-oxo-1,2,3,4-tetrahydro-4-quinazolinecarboxamide

IUPAC name

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

SMILES

CC1N(CCCNC(C(c(cccc2)c2N2)(N(c(cc3)cc(Cl)c3Cl)C2=O)O)=O)CCCC1

InChI

InChI=1S/C24H28Cl2N4O3/c1-16-7-4-5-13-29(16)14-6-12-27-22(31)24(33)18-8-2-3-9-21(18)28-23(32)30(24)17-10-11-19(25)20(26)15-17/h2-3,8-11,15-16,33H,4-7,12-14H2,1H3,(H,27,31)(H,28,32)

InChI Key

JAPLKVOECNCFET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.055

Distribution Coefficient, logD

1.149

Water Solubility, LogSw

-4.11

Polar Surface Area

70.380

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

10.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.67

C109-0383 in Drug Discovery

Included in Screening Libraries

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 C109-0383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0383?
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What is the minimum amount of C109-0383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0383
  • 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 C109-0383 available by request