4333-6714 Screening compound: 2-{3-[(1H-1,2,3-benzotriazol-1-yl)methyl]-4-methoxyphenyl}-3-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one

4333-6714 Screening compound: 2-{3-[(1H-1,2,3-benzotriazol-1-yl)methyl]-4-methoxyphenyl}-3-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one
4333-6714 Screening compound: 2-{3-[(1H-1,2,3-benzotriazol-1-yl)methyl]-4-methoxyphenyl}-3-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4333-6714
2-{3-[(1H-1,2,3-benzotriazol-1-yl)methyl]-4-methoxyphenyl}-3-(4-methoxyphenyl)-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

4333-6714

Molecular Formula

C29H25N5O3 (C29 H25 N5 O3)

Compound Name

2-{3-[(1H-1,2,3-benzotriazol-1-yl)methyl]-4-methoxyphenyl}-3-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

2-{3-[(1H-123-benzotriazol-1-yl)methyl]-4-methoxyphenyl}-3-(4-methoxyphenyl)-1234-tetrahydroquinazolin-4-one

SMILES

COc(cc1)ccc1N(C(c(cc1)cc(Cn2nnc3c2cccc3)c1OC)Nc1c2cccc1)C2=O

InChI

InChI=1S/C29H25N5O3/c1-36-22-14-12-21(13-15-22)34-28(30-24-8-4-3-7-23(24)29(34)35)19-11-16-27(37-2)20(17-19)18-33-26-10-6-5-9-25(26)31-32-33/h3-17,28,30H,18H2,1-2H3/t28-/m0/s1

InChI Key

DPVFHMWNLCQOKP-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD01947479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.786

Distribution Coefficient, logD

4.786

Water Solubility, LogSw

-4.63

Polar Surface Area

67.332

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.80

4333-6714 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 4333-6714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4333-6714?
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What is the minimum amount of 4333-6714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4333-6714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4333-6714
  • 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 4333-6714 available by request