D491-3421 Screening compound: 1-[3-(benzyloxy)phenyl]-2-[3-(dimethylamino)propyl]-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

D491-3421 Screening compound: 1-[3-(benzyloxy)phenyl]-2-[3-(dimethylamino)propyl]-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
D491-3421 Screening compound: 1-[3-(benzyloxy)phenyl]-2-[3-(dimethylamino)propyl]-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-3421
1-[3-(benzyloxy)phenyl]-2-[3-(dimethylamino)propyl]-7-methyl-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

D491-3421

Molecular Formula

C30H30N2O4 (C30 H30 N2 O4)

Compound Name

1-[3-(benzyloxy)phenyl]-2-[3-(dimethylamino)propyl]-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

1-[3-(benzyloxy)phenyl]-2-[3-(dimethylamino)propyl]-7-methyl-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

Cc(cc1)cc2c1OC(C(N(CCCN(C)C)C1c3cc(OCc4ccccc4)ccc3)=O)=C1C2=O

InChI

InChI=1S/C30H30N2O4/c1-20-13-14-25-24(17-20)28(33)26-27(32(16-8-15-31(2)3)30(34)29(26)36-25)22-11-7-12-23(18-22)35-19-21-9-5-4-6-10-21/h4-7,9-14,17-18,27H,8,15-16,19H2,1-3H3/t27-/m1/s1

InChI Key

ACUQTOYQROJKET-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD06321273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.664

Distribution Coefficient, logD

2.715

Water Solubility, LogSw

-4.67

Polar Surface Area

48.076

Acid Dissociation Constant (pKa)

18.11

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

D491-3421 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Cysteine Proteases Inhibitors Library (7839 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D491-3421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-3421?
Check Price and Availability of D491-3421, 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 D491-3421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-3421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-3421
  • 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 D491-3421 available by request