3456-0468 Screening compound: 2-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-(2-methylphenyl)-3,4-dihydroquinazolin-4-one

3456-0468 Screening compound: 2-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-(2-methylphenyl)-3,4-dihydroquinazolin-4-one
3456-0468 Screening compound: 2-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-(2-methylphenyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3456-0468
2-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-(2-methylphenyl)-3,4-dihydroquinazolin-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

3456-0468

Molecular Formula

C24H16BrN3O2 (C24 H16 BrN3 O2)

Compound Name

2-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-(2-methylphenyl)-3,4-dihydroquinazolin-4-one

IUPAC name

2-{[(3Z)-5-bromo-2-oxo-23-dihydro-1H-indol-3-ylidene]methyl}-3-(2-methylphenyl)-34-dihydroquinazolin-4-one

SMILES

Cc(cccc1)c1N(C(/C=C(/c(cc(cc1)Br)c1N1)\C1=O)=Nc1c2cccc1)C2=O

InChI

InChI=1S/C24H16BrN3O2/c1-14-6-2-5-9-21(14)28-22(26-19-8-4-3-7-16(19)24(28)30)13-18-17-12-15(25)10-11-20(17)27-23(18)29/h2-13H,1H3,(H,27,29)

InChI Key

MEQMMMXCBDGGMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01553764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.374

Distribution Coefficient, logD

4.373

Water Solubility, LogSw

-4.38

Polar Surface Area

49.537

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

3456-0468 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3456-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3456-0468?
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What is the minimum amount of 3456-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3456-0468
  • 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 3456-0468 available by request