2072-0536 Screening compound: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-propoxybenzamide

2072-0536 Screening compound: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-propoxybenzamide
2072-0536 Screening compound: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2072-0536
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-propoxybenzamide

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

2072-0536

Molecular Formula

C23H20N2O2S (C23 H20 N2 O2 S)

Compound Name

N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-propoxybenzamide

IUPAC name

N-[3-(13-benzothiazol-2-yl)phenyl]-4-propoxybenzamide

SMILES

CCCOc(cc1)ccc1C(Nc1cccc(-c2nc(cccc3)c3s2)c1)=O

InChI

InChI=1S/C23H20N2O2S/c1-2-14-27-19-12-10-16(11-13-19)22(26)24-18-7-5-6-17(15-18)23-25-20-8-3-4-9-21(20)28-23/h3-13,15H,2,14H2,1H3,(H,24,26)

InChI Key

GIJWDOOCGPCGKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01415525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.286

Distribution Coefficient, logD

6.286

Water Solubility, LogSw

-5.56

Polar Surface Area

40.196

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

2072-0536 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2072-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2072-0536?
Check Price and Availability of 2072-0536, 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 2072-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2072-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2072-0536
  • 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 2072-0536 available by request