3061-4440 Screening compound: 2-[1-(4-bromo-3-methylphenyl)-2-oxo-4-(3,4,5-trimethoxyphenyl)azetidin-3-yl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione

3061-4440 Screening compound: 2-[1-(4-bromo-3-methylphenyl)-2-oxo-4-(3,4,5-trimethoxyphenyl)azetidin-3-yl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione
3061-4440 Screening compound: 2-[1-(4-bromo-3-methylphenyl)-2-oxo-4-(3,4,5-trimethoxyphenyl)azetidin-3-yl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3061-4440
2-[1-(4-bromo-3-methylphenyl)-2-oxo-4-(3,4,5-trimethoxyphenyl)azetidin-3-yl]-4-nitro-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

3061-4440

Molecular Formula

C27H22BrN3O8 (C27 H22 BrN3 O8)

Compound Name

2-[1-(4-bromo-3-methylphenyl)-2-oxo-4-(3,4,5-trimethoxyphenyl)azetidin-3-yl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[1-(4-bromo-3-methylphenyl)-2-oxo-4-(345-trimethoxyphenyl)azetidin-3-yl]-4-nitro-23-dihydro-1H-isoindole-13-dione

SMILES

Cc(cc(cc1)N(C(C2N(C(c3c4c([N+]([O-])=O)ccc3)=O)C4=O)c(cc3OC)cc(OC)c3OC)C2=O)c1Br

InChI

InChI=1S/C27H22BrN3O8/c1-13-10-15(8-9-17(13)28)29-22(14-11-19(37-2)24(39-4)20(12-14)38-3)23(27(29)34)30-25(32)16-6-5-7-18(31(35)36)21(16)26(30)33/h5-12,22-23H,1-4H3

InChI Key

UPJNOOQLHFHVHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

596.39

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.632

Distribution Coefficient, logD

3.632

Water Solubility, LogSw

-4.21

Polar Surface Area

98.914

Acid Dissociation Constant (pKa)

18.95

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 3061-4440 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3061-4440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3061-4440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3061-4440
  • 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 3061-4440 available by request