6058-0096 Screening compound: 3-{2-[(5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene)methyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzoic acid

6058-0096 Screening compound: 3-{2-[(5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene)methyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzoic acid
6058-0096 Screening compound: 3-{2-[(5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene)methyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6058-0096
3-{2-[(5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene)methyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzoic acid

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

6058-0096

Molecular Formula

C24H14BrN3O4 (C24 H14 BrN3 O4)

Compound Name

3-{2-[(5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene)methyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzoic acid

IUPAC name

3-{2-[(5-bromo-2-oxo-23-dihydro-1H-indol-3-ylidene)methyl]-4-oxo-34-dihydroquinazolin-3-yl}benzoic acid

SMILES

OC(c1cccc(N(C(/C=C(\c(cc(cc2)Br)c2N2)/C2=O)=Nc2c3cccc2)C3=O)c1)=O

InChI

InChI=1S/C24H14BrN3O4/c25-14-8-9-20-17(11-14)18(22(29)27-20)12-21-26-19-7-2-1-6-16(19)23(30)28(21)15-5-3-4-13(10-15)24(31)32/h1-12H,(H,27,29)(H,31,32)

InChI Key

WANOHXMUWRLZBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02029963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.883

Distribution Coefficient, logD

1.193

Water Solubility, LogSw

-4.03

Polar Surface Area

78.246

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

6058-0096 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6058-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6058-0096?
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What is the minimum amount of 6058-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6058-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6058-0096
  • 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 6058-0096 available by request