3570-0002 Screening compound: 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-6-propyl-4H-chromen-7-yl acetate

3570-0002 Screening compound: 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-6-propyl-4H-chromen-7-yl acetate
3570-0002 Screening compound: 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-6-propyl-4H-chromen-7-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3570-0002
3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-6-propyl-4H-chromen-7-yl acetate

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

3570-0002

Molecular Formula

C22H19NO4S (C22 H19 NO4 S)

Compound Name

3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-6-propyl-4H-chromen-7-yl acetate

IUPAC name

3-(13-benzothiazol-2-yl)-2-methyl-4-oxo-6-propyl-4H-chromen-7-yl acetate

SMILES

CCCc(c(OC(C)=O)c1)cc2c1OC(C)=C(c1nc(cccc3)c3s1)C2=O

InChI

InChI=1S/C22H19NO4S/c1-4-7-14-10-15-18(11-17(14)27-13(3)24)26-12(2)20(21(15)25)22-23-16-8-5-6-9-19(16)28-22/h5-6,8-11H,4,7H2,1-3H3

InChI Key

ZSKQILQZDXIRJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00525286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.427

Distribution Coefficient, logD

5.427

Water Solubility, LogSw

-5.41

Polar Surface Area

50.884

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-5.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

3570-0002 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3570-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3570-0002?
Check Price and Availability of 3570-0002, 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 3570-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3570-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3570-0002
  • 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 3570-0002 available by request