3647-5012 Screening compound: 3-[(furan-2-yl)methyl]-2-{4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}-1,2,3,4-tetrahydroquinazolin-4-one

3647-5012 Screening compound: 3-[(furan-2-yl)methyl]-2-{4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}-1,2,3,4-tetrahydroquinazolin-4-one
3647-5012 Screening compound: 3-[(furan-2-yl)methyl]-2-{4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3647-5012
3-[(furan-2-yl)methyl]-2-{4-methoxy-3-[(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

3647-5012

Molecular Formula

C27H23N3O6 (C27 H23 N3 O6)

Compound Name

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

IUPAC name

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

SMILES

COc1c(COc(cc2)ccc2[N+]([O-])=O)cc(C(Nc2c3cccc2)N(Cc2ccco2)C3=O)cc1

InChI

InChI=1S/C27H23N3O6/c1-34-25-13-8-18(15-19(25)17-36-21-11-9-20(10-12-21)30(32)33)26-28-24-7-3-2-6-23(24)27(31)29(26)16-22-5-4-14-35-22/h2-15,26,28H,16-17H2,1H3/t26-/m0/s1

InChI Key

MNIHGTBQVXJAHU-SANMLTNESA-N

MDL Number (MFCD)

MFCD02216977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.5

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

5.093

Distribution Coefficient, logD

5.093

Water Solubility, LogSw

-4.88

Polar Surface Area

83.331

Acid Dissociation Constant (pKa)

17.12

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

3647-5012 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3647-5012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3647-5012?
Check Price and Availability of 3647-5012, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3647-5012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3647-5012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3647-5012
  • 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 3647-5012 available by request