3129-4995 Screening compound: 2-[2-(3,4-dimethoxyphenyl)-1-(3-fluoro-4-methylphenyl)-4-oxoazetidin-3-yl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione

3129-4995 Screening compound: 2-[2-(3,4-dimethoxyphenyl)-1-(3-fluoro-4-methylphenyl)-4-oxoazetidin-3-yl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione
3129-4995 Screening compound: 2-[2-(3,4-dimethoxyphenyl)-1-(3-fluoro-4-methylphenyl)-4-oxoazetidin-3-yl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3129-4995
2-[2-(3,4-dimethoxyphenyl)-1-(3-fluoro-4-methylphenyl)-4-oxoazetidin-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

3129-4995

Molecular Formula

C26H20FN3O7 (C26 H20 FN3 O7)

Compound Name

2-[2-(3,4-dimethoxyphenyl)-1-(3-fluoro-4-methylphenyl)-4-oxoazetidin-3-yl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[2-(34-dimethoxyphenyl)-1-(3-fluoro-4-methylphenyl)-4-oxoazetidin-3-yl]-4-nitro-23-dihydro-1H-isoindole-13-dione

SMILES

Cc(ccc(N(C(C1N(C(c2c3c([N+]([O-])=O)ccc2)=O)C3=O)c(cc2)cc(OC)c2OC)C1=O)c1)c1F

InChI

InChI=1S/C26H20FN3O7/c1-13-7-9-15(12-17(13)27)28-22(14-8-10-19(36-2)20(11-14)37-3)23(26(28)33)29-24(31)16-5-4-6-18(30(34)35)21(16)25(29)32/h4-12,22-23H,1-3H3

InChI Key

QIQDTFMKHVHCBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.906

Distribution Coefficient, logD

2.906

Water Solubility, LogSw

-3.51

Polar Surface Area

91.197

Acid Dissociation Constant (pKa)

18.57

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.20

3129-4995 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3129-4995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3129-4995?
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What is the minimum amount of 3129-4995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3129-4995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3129-4995
  • 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 3129-4995 available by request