4333-7002 Screening compound: N-{4-[(5-{3-[(furan-2-yl)methyl]-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl}-2-methoxyphenyl)methoxy]phenyl}acetamide

4333-7002 Screening compound: N-{4-[(5-{3-[(furan-2-yl)methyl]-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl}-2-methoxyphenyl)methoxy]phenyl}acetamide
4333-7002 Screening compound: N-{4-[(5-{3-[(furan-2-yl)methyl]-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl}-2-methoxyphenyl)methoxy]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4333-7002
N-{4-[(5-{3-[(furan-2-yl)methyl]-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl}-2-methoxyphenyl)methoxy]phenyl}acetamide

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

4333-7002

Molecular Formula

C29H27N3O5 (C29 H27 N3 O5)

Compound Name

N-{4-[(5-{3-[(furan-2-yl)methyl]-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl}-2-methoxyphenyl)methoxy]phenyl}acetamide

IUPAC name

N-{4-[(5-{3-[(furan-2-yl)methyl]-4-oxo-1234-tetrahydroquinazolin-2-yl}-2-methoxyphenyl)methoxy]phenyl}acetamide

SMILES

CC(Nc(cc1)ccc1OCc(cc(C(Nc1c2cccc1)N(Cc1ccco1)C2=O)cc1)c1OC)=O

InChI

InChI=1S/C29H27N3O5/c1-19(33)30-22-10-12-23(13-11-22)37-18-21-16-20(9-14-27(21)35-2)28-31-26-8-4-3-7-25(26)29(34)32(28)17-24-6-5-15-36-24/h3-16,28,31H,17-18H2,1-2H3,(H,30,33)/t28-/m0/s1

InChI Key

QPNJPCYYDZIJJR-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD02216740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.368

Distribution Coefficient, logD

4.368

Water Solubility, LogSw

-4.40

Polar Surface Area

73.212

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

4333-7002 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 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 4333-7002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4333-7002?
Check Price and Availability of 4333-7002, 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 4333-7002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4333-7002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4333-7002
  • 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 4333-7002 available by request