D417-0147 Screening compound: 1-(4-tert-butylphenyl)-2-[3-(1H-imidazol-1-yl)propyl]-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

D417-0147 Screening compound: 1-(4-tert-butylphenyl)-2-[3-(1H-imidazol-1-yl)propyl]-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
D417-0147 Screening compound: 1-(4-tert-butylphenyl)-2-[3-(1H-imidazol-1-yl)propyl]-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D417-0147
1-(4-tert-butylphenyl)-2-[3-(1H-imidazol-1-yl)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

D417-0147

Molecular Formula

C28H29N3O3 (C28 H29 N3 O3)

Compound Name

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

IUPAC name

1-(4-tert-butylphenyl)-2-[3-(1H-imidazol-1-yl)propyl]-7-methyl-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CC(C)(C)c1ccc(C(C2=C3Oc(ccc(C)c4)c4C2=O)N(CCCn2cncc2)C3=O)cc1

InChI

InChI=1S/C28H29N3O3/c1-18-6-11-22-21(16-18)25(32)23-24(19-7-9-20(10-8-19)28(2,3)4)31(27(33)26(23)34-22)14-5-13-30-15-12-29-17-30/h6-12,15-17,24H,5,13-14H2,1-4H3/t24-/m1/s1

InChI Key

FJTPGTCODYWECR-XMMPIXPASA-N

MDL Number (MFCD)

MFCD12918991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.911

Distribution Coefficient, logD

4.669

Water Solubility, LogSw

-4.48

Polar Surface Area

49.512

Acid Dissociation Constant (pKa)

18.11

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

D417-0147 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D417-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D417-0147?
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What is the minimum amount of D417-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D417-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D417-0147
  • 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 D417-0147 available by request