D417-0080 Screening compound: 2-[3-(1H-imidazol-1-yl)propyl]-6,7-dimethyl-1-(4-nitrophenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

D417-0080 Screening compound: 2-[3-(1H-imidazol-1-yl)propyl]-6,7-dimethyl-1-(4-nitrophenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
D417-0080 Screening compound: 2-[3-(1H-imidazol-1-yl)propyl]-6,7-dimethyl-1-(4-nitrophenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D417-0080
2-[3-(1H-imidazol-1-yl)propyl]-6,7-dimethyl-1-(4-nitrophenyl)-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

D417-0080

Molecular Formula

C25H22N4O5 (C25 H22 N4 O5)

Compound Name

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

IUPAC name

2-[3-(1H-imidazol-1-yl)propyl]-67-dimethyl-1-(4-nitrophenyl)-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

Cc(c(C)c1)cc2c1OC(C(N(CCCn1cncc1)C1c(cc3)ccc3[N+]([O-])=O)=O)=C1C2=O

InChI

InChI=1S/C25H22N4O5/c1-15-12-19-20(13-16(15)2)34-24-21(23(19)30)22(17-4-6-18(7-5-17)29(32)33)28(25(24)31)10-3-9-27-11-8-26-14-27/h4-8,11-14,22H,3,9-10H2,1-2H3/t22-/m1/s1

InChI Key

YERQLSXYVKXLIU-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD12916883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.757

Distribution Coefficient, logD

3.515

Water Solubility, LogSw

-3.94

Polar Surface Area

82.893

Acid Dissociation Constant (pKa)

18.11

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

D417-0080 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 D417-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D417-0080?
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What is the minimum amount of D417-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D417-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D417-0080
  • 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 D417-0080 available by request