D417-0082 Screening compound: 1-(3,4-dichlorophenyl)-2-[3-(1H-imidazol-1-yl)propyl]-6,7-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

D417-0082 Screening compound: 1-(3,4-dichlorophenyl)-2-[3-(1H-imidazol-1-yl)propyl]-6,7-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
D417-0082 Screening compound: 1-(3,4-dichlorophenyl)-2-[3-(1H-imidazol-1-yl)propyl]-6,7-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D417-0082
1-(3,4-dichlorophenyl)-2-[3-(1H-imidazol-1-yl)propyl]-6,7-dimethyl-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

D417-0082

Molecular Formula

C25H21Cl2N3O3 (C25 H21 Cl2 N3 O3)

Compound Name

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

IUPAC name

1-(34-dichlorophenyl)-2-[3-(1H-imidazol-1-yl)propyl]-67-dimethyl-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

Cc(c(C)c1)cc2c1OC(C(N(CCCn1cncc1)C1c(cc3)cc(Cl)c3Cl)=O)=C1C2=O

InChI

InChI=1S/C25H21Cl2N3O3/c1-14-10-17-20(11-15(14)2)33-24-21(23(17)31)22(16-4-5-18(26)19(27)12-16)30(25(24)32)8-3-7-29-9-6-28-13-29/h4-6,9-13,22H,3,7-8H2,1-2H3/t22-/m1/s1

InChI Key

YINVPFGCXHZTCL-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD12917349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.299

Distribution Coefficient, logD

5.057

Water Solubility, LogSw

-5.87

Polar Surface Area

49.512

Acid Dissociation Constant (pKa)

17.25

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

D417-0082 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • 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 D417-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D417-0082?
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What is the minimum amount of D417-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D417-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D417-0082
  • 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 D417-0082 available by request