8013-1865 Screening compound: 3-(2-hydroxy-3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methyl-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

8013-1865 Screening compound: 3-(2-hydroxy-3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methyl-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
8013-1865 Screening compound: 3-(2-hydroxy-3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methyl-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1865
3-(2-hydroxy-3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methyl-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

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

8013-1865

Molecular Formula

C22H22N2O7 (C22 H22 N2 O7)

Compound Name

3-(2-hydroxy-3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methyl-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

IUPAC name

3-(2-hydroxy-3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methyl-46-dioxo-octahydropyrrolo[34-c]pyrrole-1-carboxylic acid

SMILES

CC(C(C1C(N2c(cc3)ccc3OC)=O)C2=O)(C(O)=O)NC1c(cccc1OC)c1O

InChI

InChI=1S/C22H22N2O7/c1-22(21(28)29)16-15(17(23-22)13-5-4-6-14(31-3)18(13)25)19(26)24(20(16)27)11-7-9-12(30-2)10-8-11/h4-10,15-17,23,25H,1-3H3,(H,28,29)

InChI Key

RFQSHITZNPMOTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.240

Distribution Coefficient, logD

-1.109

Water Solubility, LogSw

-1.93

Polar Surface Area

100.878

Acid Dissociation Constant (pKa)

3.19

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

31.80

8013-1865 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 8013-1865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1865?
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What is the minimum amount of 8013-1865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1865
  • 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 8013-1865 available by request