C109-0514 Screening compound: 3-(3,4-dichlorophenyl)-4-hydroxy-N-[3-(morpholin-4-yl)propyl]-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

C109-0514 Screening compound: 3-(3,4-dichlorophenyl)-4-hydroxy-N-[3-(morpholin-4-yl)propyl]-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
C109-0514 Screening compound: 3-(3,4-dichlorophenyl)-4-hydroxy-N-[3-(morpholin-4-yl)propyl]-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0514
3-(3,4-dichlorophenyl)-4-hydroxy-N-[3-(morpholin-4-yl)propyl]-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

C109-0514

Molecular Formula

C22H24Cl2N4O4 (C22 H24 Cl2 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

OC(C(NCCCN1CCOCC1)=O)(c(cccc1)c1N1)N(c(cc2)cc(Cl)c2Cl)C1=O

InChI

InChI=1S/C22H24Cl2N4O4/c23-17-7-6-15(14-18(17)24)28-21(30)26-19-5-2-1-4-16(19)22(28,31)20(29)25-8-3-9-27-10-12-32-13-11-27/h1-2,4-7,14,31H,3,8-13H2,(H,25,29)(H,26,30)/t22-/m1/s1

InChI Key

GLYPFHNMVQEIOR-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14720185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.795

Distribution Coefficient, logD

2.372

Water Solubility, LogSw

-3.56

Polar Surface Area

78.838

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

C109-0514 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 C109-0514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0514?
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What is the minimum amount of C109-0514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0514
  • 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 C109-0514 available by request