D491-3313 Screening compound: 2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

D491-3313 Screening compound: 2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
D491-3313 Screening compound: 2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-3313
2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-6,7-dimethyl-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

D491-3313

Molecular Formula

C25H28N2O4 (C25 H28 N2 O4)

Compound Name

2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-67-dimethyl-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

Cc(c(C)c1)cc2c1OC(C(N(CCCN(C)C)C1c3cc(OC)ccc3)=O)=C1C2=O

InChI

InChI=1S/C25H28N2O4/c1-15-12-19-20(13-16(15)2)31-24-21(23(19)28)22(17-8-6-9-18(14-17)30-5)27(25(24)29)11-7-10-26(3)4/h6,8-9,12-14,22H,7,10-11H2,1-5H3/t22-/m1/s1

InChI Key

SHOZPGXGSUJDIG-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04447738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.946

Distribution Coefficient, logD

1.998

Water Solubility, LogSw

-4.05

Polar Surface Area

48.392

Acid Dissociation Constant (pKa)

18.11

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

D491-3313 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D491-3313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-3313?
Check Price and Availability of D491-3313, 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 D491-3313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-3313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-3313
  • 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 D491-3313 available by request