D491-3322 Screening compound: methyl 4-{2-[3-(dimethylamino)propyl]-6,7-dimethyl-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate

D491-3322 Screening compound: methyl 4-{2-[3-(dimethylamino)propyl]-6,7-dimethyl-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate
D491-3322 Screening compound: methyl 4-{2-[3-(dimethylamino)propyl]-6,7-dimethyl-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-3322
methyl 4-{2-[3-(dimethylamino)propyl]-6,7-dimethyl-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate

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

D491-3322

Molecular Formula

C26H28N2O5 (C26 H28 N2 O5)

Compound Name

methyl 4-{2-[3-(dimethylamino)propyl]-6,7-dimethyl-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate

IUPAC name

methyl 4-{2-[3-(dimethylamino)propyl]-67-dimethyl-39-dioxo-1H2H3H9H-chromeno[23-c]pyrrol-1-yl}benzoate

SMILES

Cc(c(C)c1)cc2c1OC(C(N(CCCN(C)C)C1c(cc3)ccc3C(OC)=O)=O)=C1C2=O

InChI

InChI=1S/C26H28N2O5/c1-15-13-19-20(14-16(15)2)33-24-21(23(19)29)22(28(25(24)30)12-6-11-27(3)4)17-7-9-18(10-8-17)26(31)32-5/h7-10,13-14,22H,6,11-12H2,1-5H3/t22-/m1/s1

InChI Key

MZNYHTSKOFCZFU-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04447943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.017

Distribution Coefficient, logD

2.068

Water Solubility, LogSw

-4.19

Polar Surface Area

62.022

Acid Dissociation Constant (pKa)

18.11

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

D491-3322 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Dark Chemical Matter Library (18430 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
  • Pool
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 D491-3322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-3322?
Check Price and Availability of D491-3322, 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 D491-3322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-3322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-3322
  • 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 D491-3322 available by request