D417-0059 Screening compound: 1-(4-tert-butylphenyl)-6,7-dimethyl-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

D417-0059 Screening compound: 1-(4-tert-butylphenyl)-6,7-dimethyl-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
D417-0059 Screening compound: 1-(4-tert-butylphenyl)-6,7-dimethyl-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 D417-0059
1-(4-tert-butylphenyl)-6,7-dimethyl-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

D417-0059

Molecular Formula

C30H36N2O4 (C30 H36 N2 O4)

Compound Name

1-(4-tert-butylphenyl)-6,7-dimethyl-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

1-(4-tert-butylphenyl)-67-dimethyl-2-[3-(morpholin-4-yl)propyl]-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CC(C)(C)c1ccc(C(C2=C3Oc(cc(C)c(C)c4)c4C2=O)N(CCCN2CCOCC2)C3=O)cc1

InChI

InChI=1S/C30H36N2O4/c1-19-17-23-24(18-20(19)2)36-28-25(27(23)33)26(21-7-9-22(10-8-21)30(3,4)5)32(29(28)34)12-6-11-31-13-15-35-16-14-31/h7-10,17-18,26H,6,11-16H2,1-5H3/t26-/m1/s1

InChI Key

JNJVDJJANXFYMP-AREMUKBSSA-N

MDL Number (MFCD)

MFCD06320863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.63

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

5.574

Distribution Coefficient, logD

5.400

Water Solubility, LogSw

-5.37

Polar Surface Area

48.602

Acid Dissociation Constant (pKa)

18.11

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

D417-0059 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D417-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D417-0059?
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What is the minimum amount of D417-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D417-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D417-0059
  • 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 D417-0059 available by request