4044-0048 Screening compound: 5-(2-methoxy-5-nitrophenyl)-4-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazole

4044-0048 Screening compound: 5-(2-methoxy-5-nitrophenyl)-4-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazole
4044-0048 Screening compound: 5-(2-methoxy-5-nitrophenyl)-4-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4044-0048
5-(2-methoxy-5-nitrophenyl)-4-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazole

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

4044-0048

Molecular Formula

C25H23N3O6 (C25 H23 N3 O6)

Compound Name

5-(2-methoxy-5-nitrophenyl)-4-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazole

IUPAC name

5-(2-methoxy-5-nitrophenyl)-4-phenyl-2-(345-trimethoxyphenyl)-1H-imidazole

SMILES

COc(ccc([N+]([O-])=O)c1)c1-c1c(-c2ccccc2)nc(-c(cc2OC)cc(OC)c2OC)[nH]1

InChI

InChI=1S/C25H23N3O6/c1-31-19-11-10-17(28(29)30)14-18(19)23-22(15-8-6-5-7-9-15)26-25(27-23)16-12-20(32-2)24(34-4)21(13-16)33-3/h5-14H,1-4H3,(H,26,27)

InChI Key

IQTOXZDMEZZPLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.844

Distribution Coefficient, logD

4.516

Water Solubility, LogSw

-4.75

Polar Surface Area

84.544

Acid Dissociation Constant (pKa)

3.76

Base Dissociation Constant (pKb)

7.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

4044-0048 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4044-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4044-0048?
Check Price and Availability of 4044-0048, 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 4044-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4044-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4044-0048
  • 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 4044-0048 available by request