8014-1060 Screening compound: 3-(2-hydroxy-4-methoxyphenyl)-5-(naphthalen-1-yl)-4,6-dioxo-1-propyl-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

8014-1060 Screening compound: 3-(2-hydroxy-4-methoxyphenyl)-5-(naphthalen-1-yl)-4,6-dioxo-1-propyl-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
8014-1060 Screening compound: 3-(2-hydroxy-4-methoxyphenyl)-5-(naphthalen-1-yl)-4,6-dioxo-1-propyl-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1060
3-(2-hydroxy-4-methoxyphenyl)-5-(naphthalen-1-yl)-4,6-dioxo-1-propyl-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

8014-1060

Molecular Formula

C27H26N2O6 (C27 H26 N2 O6)

Compound Name

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

IUPAC name

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

SMILES

CCCC(C(C1C(N2c3cccc4ccccc34)=O)C2=O)(C(O)=O)NC1c(ccc(OC)c1)c1O

InChI

InChI=1S/C27H26N2O6/c1-3-13-27(26(33)34)22-21(23(28-27)18-12-11-16(35-2)14-20(18)30)24(31)29(25(22)32)19-10-6-8-15-7-4-5-9-17(15)19/h4-12,14,21-23,28,30H,3,13H2,1-2H3,(H,33,34)

InChI Key

PJFUKQUHHPUDEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.518

Distribution Coefficient, logD

1.200

Water Solubility, LogSw

-3.57

Polar Surface Area

94.351

Acid Dissociation Constant (pKa)

3.22

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

29.60

8014-1060 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8014-1060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1060?
Check Price and Availability of 8014-1060, 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 8014-1060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1060
  • 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 8014-1060 available by request