0960-0058 Screening compound: 2-({[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-1-hydroxy-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

0960-0058 Screening compound: 2-({[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-1-hydroxy-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
0960-0058 Screening compound: 2-({[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-1-hydroxy-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0960-0058
2-({[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-1-hydroxy-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

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

0960-0058

Molecular Formula

C29H21N5O2 (C29 H21 N5 O2)

Compound Name

2-({[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-1-hydroxy-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

12-[(E)-{[4-(57-dimethyl-13-benzoxazol-2-yl)phenyl]imino}methyl]-13-hydroxy-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc1cc(C)c2oc(-c(cc3)ccc3/N=C/c(c(C)c(c3nc(cccc4)c4n33)C#N)c3O)nc2c1

InChI

InChI=1S/C29H21N5O2/c1-16-12-17(2)26-24(13-16)33-28(36-26)19-8-10-20(11-9-19)31-15-22-18(3)21(14-30)27-32-23-6-4-5-7-25(23)34(27)29(22)35/h4-13,15,35H,1-3H3

InChI Key

MJALGYFJTYRSML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00291492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.014

Distribution Coefficient, logD

1.739

Water Solubility, LogSw

-5.56

Polar Surface Area

65.710

Acid Dissociation Constant (pKa)

3.13

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

References: we are preparing a list of scientific research reports with 0960-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0960-0058?
Check Price and Availability of 0960-0058, 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 0960-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0960-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0960-0058
  • 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 0960-0058 available by request