8001-5474 Screening compound: 4-[4-(4-nitrophenyl)-2-phenyl-1H-imidazol-5-yl]phenyl {4-[5-(4-nitrophenyl)-2-phenyl-1H-imidazol-4-yl]phenyl} ether

8001-5474 Screening compound: 4-[4-(4-nitrophenyl)-2-phenyl-1H-imidazol-5-yl]phenyl {4-[5-(4-nitrophenyl)-2-phenyl-1H-imidazol-4-yl]phenyl} ether
8001-5474 Screening compound: 4-[4-(4-nitrophenyl)-2-phenyl-1H-imidazol-5-yl]phenyl {4-[5-(4-nitrophenyl)-2-phenyl-1H-imidazol-4-yl]phenyl} ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-5474
4-[4-(4-nitrophenyl)-2-phenyl-1H-imidazol-5-yl]phenyl {4-[5-(4-nitrophenyl)-2-phenyl-1H-imidazol-4-yl]phenyl} ether

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

8001-5474

Molecular Formula

C42H28N6O5 (C42 H28 N6 O5)

Compound Name

4-[4-(4-nitrophenyl)-2-phenyl-1H-imidazol-5-yl]phenyl {4-[5-(4-nitrophenyl)-2-phenyl-1H-imidazol-4-yl]phenyl} ether

IUPAC name

4-(4-nitrophenyl)-5-(4-{4-[5-(4-nitrophenyl)-2-phenyl-1H-imidazol-4-yl]phenoxy}phenyl)-2-phenyl-1H-imidazole

SMILES

[O-][N+](c(cc1)ccc1-c1c(-c(cc2)ccc2Oc(cc2)ccc2-c2c(-c(cc3)ccc3[N+]([O-])=O)nc(-c3ccccc3)[nH]2)nc(-c2ccccc2)[nH]1)=O

InChI

InChI=1S/C42H28N6O5/c49-47(50)33-19-11-27(12-20-33)37-39(45-41(43-37)31-7-3-1-4-8-31)29-15-23-35(24-16-29)53-36-25-17-30(18-26-36)40-38(28-13-21-34(22-14-28)48(51)52)44-42(46-40)32-9-5-2-6-10-32/h1-26H,(H,43,45)(H,44,46)

InChI Key

GRFXFTDLIUPUHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00574539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

696.72

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

10.533

Distribution Coefficient, logD

10.533

Water Solubility, LogSw

-6.52

Polar Surface Area

114.381

Acid Dissociation Constant (pKa)

4.49

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8001-5474 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8001-5474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-5474?
Check Price and Availability of 8001-5474, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8001-5474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-5474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-5474
  • 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 8001-5474 available by request