8006-8258 Screening compound: 5-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)-2-[4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione

8006-8258 Screening compound: 5-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)-2-[4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione
8006-8258 Screening compound: 5-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)-2-[4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8258
5-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)-2-[4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione

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

8006-8258

Molecular Formula

C34H23N3O10 (C34 H23 N3 O10)

Compound Name

5-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)-2-[4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

5-(67-dimethoxy-4-oxo-4H-31-benzoxazin-2-yl)-2-[4-(67-dimethoxy-4-oxo-4H-31-benzoxazin-2-yl)phenyl]-23-dihydro-1H-isoindole-13-dione

SMILES

COc(c(OC)c1)cc2c1N=C(c(cc1)ccc1N(C(c(cc1)c3cc1C(O1)=Nc(cc(c(OC)c4)OC)c4C1=O)=O)C3=O)OC2=O

InChI

InChI=1S/C34H23N3O10/c1-42-25-12-21-23(14-27(25)44-3)35-29(46-33(21)40)16-5-8-18(9-6-16)37-31(38)19-10-7-17(11-20(19)32(37)39)30-36-24-15-28(45-4)26(43-2)13-22(24)34(41)47-30/h5-15H,1-4H3

InChI Key

PFHMSXRHUHFZCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00826794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

633.57

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.947

Distribution Coefficient, logD

3.947

Water Solubility, LogSw

-4.13

Polar Surface Area

119.296

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8006-8258 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-8258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8258?
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What is the minimum amount of 8006-8258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8258
  • 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 8006-8258 available by request