3570-0107 Screening compound: ethyl 5-[(1-methyl-4-nitro-1H-imidazol-5-yl)oxy]-2-phenyl-1-benzofuran-3-carboxylate

3570-0107 Screening compound: ethyl 5-[(1-methyl-4-nitro-1H-imidazol-5-yl)oxy]-2-phenyl-1-benzofuran-3-carboxylate
3570-0107 Screening compound: ethyl 5-[(1-methyl-4-nitro-1H-imidazol-5-yl)oxy]-2-phenyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3570-0107
ethyl 5-[(1-methyl-4-nitro-1H-imidazol-5-yl)oxy]-2-phenyl-1-benzofuran-3-carboxylate

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

3570-0107

Molecular Formula

C21H17N3O6 (C21 H17 N3 O6)

Compound Name

ethyl 5-[(1-methyl-4-nitro-1H-imidazol-5-yl)oxy]-2-phenyl-1-benzofuran-3-carboxylate

IUPAC name

ethyl 5-[(1-methyl-4-nitro-1H-imidazol-5-yl)oxy]-2-phenyl-1-benzofuran-3-carboxylate

SMILES

CCOC(c1c(-c2ccccc2)oc(cc2)c1cc2Oc(n(C)cn1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C21H17N3O6/c1-3-28-21(25)17-15-11-14(29-20-19(24(26)27)22-12-23(20)2)9-10-16(15)30-18(17)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3

InChI Key

UJHGRDVYTTVJFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01462999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.196

Distribution Coefficient, logD

4.196

Water Solubility, LogSw

-4.41

Polar Surface Area

80.347

Acid Dissociation Constant (pKa)

27.69

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3570-0107 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3570-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3570-0107?
Check Price and Availability of 3570-0107, 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 3570-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3570-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3570-0107
  • 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 3570-0107 available by request