8013-0803 Screening compound: 3-(2,4-dihydroxyphenyl)-5-(2-methoxyphenyl)-1-methyl-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

8013-0803 Screening compound: 3-(2,4-dihydroxyphenyl)-5-(2-methoxyphenyl)-1-methyl-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
8013-0803 Screening compound: 3-(2,4-dihydroxyphenyl)-5-(2-methoxyphenyl)-1-methyl-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0803
3-(2,4-dihydroxyphenyl)-5-(2-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

8013-0803

Molecular Formula

C21H20N2O7 (C21 H20 N2 O7)

Compound Name

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

IUPAC name

3-(24-dihydroxyphenyl)-5-(2-methoxyphenyl)-1-methyl-46-dioxo-octahydropyrrolo[34-c]pyrrole-1-carboxylic acid

SMILES

CC(C(C1C(N2c(cccc3)c3OC)=O)C2=O)(C(O)=O)NC1c(ccc(O)c1)c1O

InChI

InChI=1S/C21H20N2O7/c1-21(20(28)29)16-15(17(22-21)11-8-7-10(24)9-13(11)25)18(26)23(19(16)27)12-5-3-4-6-14(12)30-2/h3-9,15-17,22,24-25H,1-2H3,(H,28,29)

InChI Key

OJCKOGNRPLFIFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.615

Distribution Coefficient, logD

-1.734

Water Solubility, LogSw

-1.95

Polar Surface Area

111.719

Acid Dissociation Constant (pKa)

5.05

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

28.60

8013-0803 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8013-0803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0803?
Check Price and Availability of 8013-0803, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8013-0803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0803
  • 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 8013-0803 available by request