3907-0051 Screening compound: 1-(4-methylphenyl)-1-oxopropan-2-yl 2-(4-ethoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

3907-0051 Screening compound: 1-(4-methylphenyl)-1-oxopropan-2-yl 2-(4-ethoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
3907-0051 Screening compound: 1-(4-methylphenyl)-1-oxopropan-2-yl 2-(4-ethoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3907-0051
1-(4-methylphenyl)-1-oxopropan-2-yl 2-(4-ethoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

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

3907-0051

Molecular Formula

C27H23NO6 (C27 H23 NO6)

Compound Name

1-(4-methylphenyl)-1-oxopropan-2-yl 2-(4-ethoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

IUPAC name

1-(4-methylphenyl)-1-oxopropan-2-yl 2-(4-ethoxyphenyl)-13-dioxo-23-dihydro-1H-isoindole-5-carboxylate

SMILES

CCOc(cc1)ccc1N(C(c(cc1)c2cc1C(OC(C)C(c1ccc(C)cc1)=O)=O)=O)C2=O

InChI

InChI=1S/C27H23NO6/c1-4-33-21-12-10-20(11-13-21)28-25(30)22-14-9-19(15-23(22)26(28)31)27(32)34-17(3)24(29)18-7-5-16(2)6-8-18/h5-15,17H,4H2,1-3H3/t17-/m0/s1

InChI Key

SOJUAIAPNIGESZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02318349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.063

Distribution Coefficient, logD

5.063

Water Solubility, LogSw

-4.61

Polar Surface Area

69.890

Acid Dissociation Constant (pKa)

20.49

Base Dissociation Constant (pKb)

-7.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

3907-0051 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 3907-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3907-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3907-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3907-0051
  • 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 3907-0051 available by request