3118-0289 Screening compound: 3-benzyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1,2,3,4-tetrahydroquinazolin-4-one

3118-0289 Screening compound: 3-benzyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1,2,3,4-tetrahydroquinazolin-4-one
3118-0289 Screening compound: 3-benzyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3118-0289
3-benzyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1,2,3,4-tetrahydroquinazolin-4-one

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

3118-0289

Molecular Formula

C30H27N3O5 (C30 H27 N3 O5)

Compound Name

3-benzyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

3-benzyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1234-tetrahydroquinazolin-4-one

SMILES

Cc(cc(cc1)OCc(cc(C(Nc2c3cccc2)N(Cc2ccccc2)C3=O)cc2)c2OC)c1[N+]([O-])=O

InChI

InChI=1S/C30H27N3O5/c1-20-16-24(13-14-27(20)33(35)36)38-19-23-17-22(12-15-28(23)37-2)29-31-26-11-7-6-10-25(26)30(34)32(29)18-21-8-4-3-5-9-21/h3-17,29,31H,18-19H2,1-2H3/t29-/m0/s1

InChI Key

MOYLPBIFLLZYAV-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD02240175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.067

Distribution Coefficient, logD

6.067

Water Solubility, LogSw

-5.57

Polar Surface Area

75.282

Acid Dissociation Constant (pKa)

17.12

Base Dissociation Constant (pKb)

-3.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 3118-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3118-0289?
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What is the minimum amount of 3118-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3118-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3118-0289
  • 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 3118-0289 available by request