3379-0155 Screening compound: 3-benzyl-2-[(5-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene)methyl]-3,4-dihydroquinazolin-4-one

3379-0155 Screening compound: 3-benzyl-2-[(5-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene)methyl]-3,4-dihydroquinazolin-4-one
3379-0155 Screening compound: 3-benzyl-2-[(5-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene)methyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-0155
3-benzyl-2-[(5-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene)methyl]-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

3379-0155

Molecular Formula

C25H18BrN3O2 (C25 H18 BrN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(c(ccc(Br)c1)c1/C1=C/C(N2Cc3ccccc3)=Nc(cccc3)c3C2=O)C1=O

InChI

InChI=1S/C25H18BrN3O2/c1-28-22-12-11-17(26)13-19(22)20(24(28)30)14-23-27-21-10-6-5-9-18(21)25(31)29(23)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3

InChI Key

CXHWNXIMOMIBAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01956900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.424

Distribution Coefficient, logD

4.424

Water Solubility, LogSw

-4.47

Polar Surface Area

40.712

Acid Dissociation Constant (pKa)

28.65

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

References: we are preparing a list of scientific research reports with 3379-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-0155?
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What is the minimum amount of 3379-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-0155
  • 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 3379-0155 available by request