3647-5098 Screening compound: 2-{4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}-3-propyl-1,2,3,4-tetrahydroquinazolin-4-one

3647-5098 Screening compound: 2-{4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}-3-propyl-1,2,3,4-tetrahydroquinazolin-4-one
3647-5098 Screening compound: 2-{4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}-3-propyl-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3647-5098
2-{4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}-3-propyl-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

3647-5098

Molecular Formula

C25H25N3O5 (C25 H25 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CCCN(C(c(cc1)cc(COc(cc2)ccc2[N+]([O-])=O)c1OC)Nc1c2cccc1)C2=O

InChI

InChI=1S/C25H25N3O5/c1-3-14-27-24(26-22-7-5-4-6-21(22)25(27)29)17-8-13-23(32-2)18(15-17)16-33-20-11-9-19(10-12-20)28(30)31/h4-13,15,24,26H,3,14,16H2,1-2H3/t24-/m0/s1

InChI Key

BZISGYMOSKXVAH-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02217337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.49

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

4.963

Distribution Coefficient, logD

4.963

Water Solubility, LogSw

-4.64

Polar Surface Area

75.832

Acid Dissociation Constant (pKa)

16.87

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with 3647-5098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3647-5098?
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What is the minimum amount of 3647-5098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3647-5098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3647-5098
  • 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 3647-5098 available by request