3033-2166 Screening compound: 1-hydroxy-3-methyl-2-({[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

3033-2166 Screening compound: 1-hydroxy-3-methyl-2-({[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
3033-2166 Screening compound: 1-hydroxy-3-methyl-2-({[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3033-2166
1-hydroxy-3-methyl-2-({[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl)pyrido[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

3033-2166

Molecular Formula

C28H19N5OS (C28 H19 N5 OS)

Compound Name

1-hydroxy-3-methyl-2-({[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

13-hydroxy-11-methyl-12-[(E)-{[4-(5-methyl-13-benzothiazol-2-yl)phenyl]imino}methyl]-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc(cc1)cc2c1sc(-c(cc1)ccc1/N=C/c(c(C)c(c1nc(cccc3)c3n11)C#N)c1O)n2

InChI

InChI=1S/C28H19N5OS/c1-16-7-12-25-23(13-16)32-27(35-25)18-8-10-19(11-9-18)30-15-21-17(2)20(14-29)26-31-22-5-3-4-6-24(22)33(26)28(21)34/h3-13,15,34H,1-2H3

InChI Key

GIJRMEPLCJZVNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01787983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.198

Distribution Coefficient, logD

1.923

Water Solubility, LogSw

-5.70

Polar Surface Area

58.116

Acid Dissociation Constant (pKa)

3.13

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 3033-2166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3033-2166?
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What is the minimum amount of 3033-2166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3033-2166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3033-2166
  • 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 3033-2166 available by request