2447-2540 Screening compound: 4-[6-(4-bromophenyl)-5H-[1,3]dioxolo[4,5-f][1,3]benzimidazol-5-yl]phenyl methyl ether

2447-2540 Screening compound: 4-[6-(4-bromophenyl)-5H-[1,3]dioxolo[4,5-f][1,3]benzimidazol-5-yl]phenyl methyl ether
2447-2540 Screening compound: 4-[6-(4-bromophenyl)-5H-[1,3]dioxolo[4,5-f][1,3]benzimidazol-5-yl]phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 2447-2540
4-[6-(4-bromophenyl)-5H-[1,3]dioxolo[4,5-f][1,3]benzimidazol-5-yl]phenyl methyl 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

2447-2540

Molecular Formula

C21H15BrN2O3 (C21 H15 BrN2 O3)

Compound Name

4-[6-(4-bromophenyl)-5H-[1,3]dioxolo[4,5-f][1,3]benzimidazol-5-yl]phenyl methyl ether

IUPAC name

11-(4-bromophenyl)-12-(4-methoxyphenyl)-46-dioxa-1012-diazatricyclo[7.3.0.0^{37}]dodeca-1(9)2710-tetraene

SMILES

COc(cc1)ccc1-n1c(-c(cc2)ccc2Br)nc2c1cc1OCOc1c2

InChI

InChI=1S/C21H15BrN2O3/c1-25-16-8-6-15(7-9-16)24-18-11-20-19(26-12-27-20)10-17(18)23-21(24)13-2-4-14(22)5-3-13/h2-11H,12H2,1H3

InChI Key

MWCJBLBXVFKBSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.888

Distribution Coefficient, logD

5.498

Water Solubility, LogSw

-5.63

Polar Surface Area

35.298

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

2447-2540 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2447-2540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2447-2540?
Check Price and Availability of 2447-2540, 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 2447-2540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2447-2540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2447-2540
  • 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 2447-2540 available by request