3647-4884 Screening compound: 2-(4-bromophenyl)-3-(4-methylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one

3647-4884 Screening compound: 2-(4-bromophenyl)-3-(4-methylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one
3647-4884 Screening compound: 2-(4-bromophenyl)-3-(4-methylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3647-4884
2-(4-bromophenyl)-3-(4-methylphenyl)-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

3647-4884

Molecular Formula

C21H17BrN2O (C21 H17 BrN2 O)

Compound Name

2-(4-bromophenyl)-3-(4-methylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

2-(4-bromophenyl)-3-(4-methylphenyl)-1234-tetrahydroquinazolin-4-one

SMILES

Cc(cc1)ccc1N(C(c(cc1)ccc1Br)Nc1c2cccc1)C2=O

InChI

InChI=1S/C21H17BrN2O/c1-14-6-12-17(13-7-14)24-20(15-8-10-16(22)11-9-15)23-19-5-3-2-4-18(19)21(24)25/h2-13,20,23H,1H3/t20-/m0/s1

InChI Key

LPCXNRMWINUHAZ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01230562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.581

Distribution Coefficient, logD

5.581

Water Solubility, LogSw

-5.54

Polar Surface Area

26.731

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

-5.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

3647-4884 in Drug Discovery

Included in Screening Libraries

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 3647-4884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3647-4884?
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What is the minimum amount of 3647-4884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3647-4884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3647-4884
  • 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 3647-4884 available by request