3907-0273 Screening compound: 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate

3907-0273 Screening compound: 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate
3907-0273 Screening compound: 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3907-0273
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate

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

3907-0273

Molecular Formula

C25H24N2O7 (C25 H24 N2 O7)

Compound Name

2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate

IUPAC name

2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-(5-methyl-13-dioxo-octahydro-1H-isoindol-2-yl)benzoate

SMILES

CC(CCC1C(N2c(cc3)ccc3C(OCC(c3cc([N+]([O-])=O)c(C)cc3)=O)=O)=O)CC1C2=O

InChI

InChI=1S/C25H24N2O7/c1-14-3-10-19-20(11-14)24(30)26(23(19)29)18-8-6-16(7-9-18)25(31)34-13-22(28)17-5-4-15(2)21(12-17)27(32)33/h4-9,12,14,19-20H,3,10-11,13H2,1-2H3

InChI Key

FNMMZFKPVMAQFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02318550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.47

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.165

Distribution Coefficient, logD

4.165

Water Solubility, LogSw

-4.49

Polar Surface Area

96.257

Acid Dissociation Constant (pKa)

17.64

Base Dissociation Constant (pKb)

-5.29

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

36.00

3907-0273 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 3907-0273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3907-0273?
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What is the minimum amount of 3907-0273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3907-0273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3907-0273
  • 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 3907-0273 available by request