5084-0012 Screening compound: 3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-4H-chromen-7-yl 4-methoxybenzoate

5084-0012 Screening compound: 3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-4H-chromen-7-yl 4-methoxybenzoate
5084-0012 Screening compound: 3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-4H-chromen-7-yl 4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5084-0012
3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-4H-chromen-7-yl 4-methoxybenzoate

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

5084-0012

Molecular Formula

C26H19NO5S (C26 H19 NO5 S)

Compound Name

3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-4H-chromen-7-yl 4-methoxybenzoate

IUPAC name

3-(13-benzothiazol-2-yl)-28-dimethyl-4-oxo-4H-chromen-7-yl 4-methoxybenzoate

SMILES

Cc(c(OC(C)=C1c2nc(cccc3)c3s2)c(cc2)C1=O)c2OC(c(cc1)ccc1OC)=O

InChI

InChI=1S/C26H19NO5S/c1-14-20(32-26(29)16-8-10-17(30-3)11-9-16)13-12-18-23(28)22(15(2)31-24(14)18)25-27-19-6-4-5-7-21(19)33-25/h4-13H,1-3H3

InChI Key

YZXUWYAWMDKBRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03265954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.688

Distribution Coefficient, logD

5.688

Water Solubility, LogSw

-5.61

Polar Surface Area

57.739

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-5.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with 5084-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5084-0012?
Check Price and Availability of 5084-0012, 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 5084-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5084-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5084-0012
  • 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 5084-0012 available by request