D658-0214 Screening compound: 1-(4-ethoxy-3-methoxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

D658-0214 Screening compound: 1-(4-ethoxy-3-methoxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
D658-0214 Screening compound: 1-(4-ethoxy-3-methoxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D658-0214
1-(4-ethoxy-3-methoxyphenyl)-2-[3-(morpholin-4-yl)propyl]-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

D658-0214

Molecular Formula

C27H30N2O6 (C27 H30 N2 O6)

Compound Name

1-(4-ethoxy-3-methoxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

1-(4-ethoxy-3-methoxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CCOc(ccc(C(C1=C2Oc(cccc3)c3C1=O)N(CCCN1CCOCC1)C2=O)c1)c1OC

InChI

InChI=1S/C27H30N2O6/c1-3-34-21-10-9-18(17-22(21)32-2)24-23-25(30)19-7-4-5-8-20(19)35-26(23)27(31)29(24)12-6-11-28-13-15-33-16-14-28/h4-5,7-10,17,24H,3,6,11-16H2,1-2H3/t24-/m1/s1

InChI Key

ILHHMJIPESZNAG-XMMPIXPASA-N

MDL Number (MFCD)

MFCD04195009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.664

Distribution Coefficient, logD

2.491

Water Solubility, LogSw

-3.14

Polar Surface Area

63.443

Acid Dissociation Constant (pKa)

18.11

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

D658-0214 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D658-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D658-0214?
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What is the minimum amount of D658-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D658-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D658-0214
  • 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 D658-0214 available by request