3379-0848 Screening compound: 2-[(5-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene)methyl]-3-(4-nitrophenyl)-3,4-dihydroquinazolin-4-one

3379-0848 Screening compound: 2-[(5-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene)methyl]-3-(4-nitrophenyl)-3,4-dihydroquinazolin-4-one
3379-0848 Screening compound: 2-[(5-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene)methyl]-3-(4-nitrophenyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-0848
2-[(5-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene)methyl]-3-(4-nitrophenyl)-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

3379-0848

Molecular Formula

C24H15BrN4O4 (C24 H15 BrN4 O4)

Compound Name

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

IUPAC name

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

SMILES

CN(c(ccc(Br)c1)c1/C1=C/C(N2c(cc3)ccc3[N+]([O-])=O)=Nc(cccc3)c3C2=O)C1=O

InChI

InChI=1S/C24H15BrN4O4/c1-27-21-11-6-14(25)12-18(21)19(23(27)30)13-22-26-20-5-3-2-4-17(20)24(31)28(22)15-7-9-16(10-8-15)29(32)33/h2-13H,1H3

InChI Key

OCXBHJMXOGQCMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01897703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.758

Distribution Coefficient, logD

3.758

Water Solubility, LogSw

-4.11

Polar Surface Area

73.482

Acid Dissociation Constant (pKa)

28.65

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

References: we are preparing a list of scientific research reports with 3379-0848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-0848?
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What is the minimum amount of 3379-0848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-0848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-0848
  • 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 3379-0848 available by request