2367-1258 Screening compound: 2-[(E)-1-(3,5-dibromo-4-hydroxyphenyl)methylidene]-6,8-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one

2367-1258 Screening compound: 2-[(E)-1-(3,5-dibromo-4-hydroxyphenyl)methylidene]-6,8-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one
2367-1258 Screening compound: 2-[(E)-1-(3,5-dibromo-4-hydroxyphenyl)methylidene]-6,8-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2367-1258
2-[(E)-1-(3,5-dibromo-4-hydroxyphenyl)methylidene]-6,8-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one

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

2367-1258

Molecular Formula

C18H12Br2N2O2S (C18 H12 Br2 N2 O2 S)

Compound Name

2-[(E)-1-(3,5-dibromo-4-hydroxyphenyl)methylidene]-6,8-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one

IUPAC name

(4E)-4-[(35-dibromo-4-hydroxyphenyl)methylidene]-911-dimethyl-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-3-one

SMILES

Cc(cc1C)cc(n2C3=O)c1nc2S/C3=C/c(cc1Br)cc(Br)c1O

InChI

InChI=1S/C18H12Br2N2O2S/c1-8-3-9(2)15-13(4-8)22-17(24)14(25-18(22)21-15)7-10-5-11(19)16(23)12(20)6-10/h3-7,23H,1-2H3

InChI Key

NFSJQZWWGVDYFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01446569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.18

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.162

Distribution Coefficient, logD

4.741

Water Solubility, LogSw

-4.79

Polar Surface Area

40.702

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 2367-1258 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2367-1258
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  • 2–4 weeks for large selections
Delivery formats for 2367-1258
  • 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 2367-1258 available by request