6699-0037 Screening compound: 1-[3-(prop-2-en-1-yloxy)phenyl]-2-(pyridin-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6699-0037 Screening compound: 1-[3-(prop-2-en-1-yloxy)phenyl]-2-(pyridin-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6699-0037 Screening compound: 1-[3-(prop-2-en-1-yloxy)phenyl]-2-(pyridin-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6699-0037
1-[3-(prop-2-en-1-yloxy)phenyl]-2-(pyridin-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

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

6699-0037

Molecular Formula

C25H18N2O4 (C25 H18 N2 O4)

Compound Name

1-[3-(prop-2-en-1-yloxy)phenyl]-2-(pyridin-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

1-[3-(prop-2-en-1-yloxy)phenyl]-2-(pyridin-2-yl)-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

C=CCOc1cccc(C(C2=C(C3=O)Oc(cccc4)c4C2=O)N3c2ncccc2)c1

InChI

InChI=1S/C25H18N2O4/c1-2-14-30-17-9-7-8-16(15-17)22-21-23(28)18-10-3-4-11-19(18)31-24(21)25(29)27(22)20-12-5-6-13-26-20/h2-13,15,22H,1,14H2/t22-/m1/s1

InChI Key

NIJNUARVFJGCOA-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03689615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.292

Distribution Coefficient, logD

4.292

Water Solubility, LogSw

-4.59

Polar Surface Area

52.050

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

6699-0037 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 6699-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6699-0037?
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What is the minimum amount of 6699-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6699-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6699-0037
  • 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 6699-0037 available by request