C109-0334 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

C109-0334 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
C109-0334 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0334
N-{3-[benzyl(methyl)amino]propyl}-4-hydroxy-3-(3-methoxyphenyl)-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

C109-0334

Molecular Formula

C27H30N4O4 (C27 H30 N4 O4)

Compound Name

N-{3-[benzyl(methyl)amino]propyl}-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

IUPAC name

N-{3-[benzyl(methyl)amino]propyl}-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1234-tetrahydroquinazoline-4-carboxamide

SMILES

CN(CCCNC(C(c(cccc1)c1N1)(N(c2cc(OC)ccc2)C1=O)O)=O)Cc1ccccc1

InChI

InChI=1S/C27H30N4O4/c1-30(19-20-10-4-3-5-11-20)17-9-16-28-25(32)27(34)23-14-6-7-15-24(23)29-26(33)31(27)21-12-8-13-22(18-21)35-2/h3-8,10-15,18,34H,9,16-17,19H2,1-2H3,(H,28,32)(H,29,33)/t27-/m1/s1

InChI Key

ODQPJZSCQCVVOR-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD14720158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

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

3.316

Distribution Coefficient, logD

1.818

Water Solubility, LogSw

-3.74

Polar Surface Area

78.585

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

8.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

C109-0334 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C109-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0334?
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What is the minimum amount of C109-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0334
  • 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 C109-0334 available by request