2922-2883 Screening compound: 2-(4-bromo-2-methylphenyl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione

2922-2883 Screening compound: 2-(4-bromo-2-methylphenyl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione
2922-2883 Screening compound: 2-(4-bromo-2-methylphenyl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2922-2883
2-(4-bromo-2-methylphenyl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-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

2922-2883

Molecular Formula

C23H13BrN2O4 (C23 H13 BrN2 O4)

Compound Name

2-(4-bromo-2-methylphenyl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-(4-bromo-2-methylphenyl)-5-(4-oxo-4H-31-benzoxazin-2-yl)-23-dihydro-1H-isoindole-13-dione

SMILES

Cc(cc(cc1)Br)c1N(C(c(cc1)c2cc1C(O1)=Nc(cccc3)c3C1=O)=O)C2=O

InChI

InChI=1S/C23H13BrN2O4/c1-12-10-14(24)7-9-19(12)26-21(27)15-8-6-13(11-17(15)22(26)28)20-25-18-5-3-2-4-16(18)23(29)30-20/h2-11H,1H3

InChI Key

WMWIYMMKZRJQEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01158986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.931

Distribution Coefficient, logD

4.931

Water Solubility, LogSw

-4.68

Polar Surface Area

58.526

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

2922-2883 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 2922-2883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2922-2883?
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What is the minimum amount of 2922-2883 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2922-2883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2922-2883
  • 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 2922-2883 available by request