3647-5011 Screening compound: 3-[(furan-2-yl)methyl]-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1,2,3,4-tetrahydroquinazolin-4-one

3647-5011 Screening compound: 3-[(furan-2-yl)methyl]-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1,2,3,4-tetrahydroquinazolin-4-one
3647-5011 Screening compound: 3-[(furan-2-yl)methyl]-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 3647-5011
3-[(furan-2-yl)methyl]-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

3647-5011

Molecular Formula

C28H25N3O6 (C28 H25 N3 O6)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)OCc(cc(C(Nc2c3cccc2)N(Cc2ccco2)C3=O)cc2)c2OC)c1[N+]([O-])=O

InChI

InChI=1S/C28H25N3O6/c1-18-14-21(10-11-25(18)31(33)34)37-17-20-15-19(9-12-26(20)35-2)27-29-24-8-4-3-7-23(24)28(32)30(27)16-22-6-5-13-36-22/h3-15,27,29H,16-17H2,1-2H3/t27-/m0/s1

InChI Key

NLOVSJJBRZFFCN-MHZLTWQESA-N

MDL Number (MFCD)

MFCD02216587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.636

Distribution Coefficient, logD

5.636

Water Solubility, LogSw

-5.53

Polar Surface Area

83.030

Acid Dissociation Constant (pKa)

17.12

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with 3647-5011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3647-5011?
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What is the minimum amount of 3647-5011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3647-5011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3647-5011
  • 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 3647-5011 available by request