3329-3258 Screening compound: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide

3329-3258 Screening compound: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide
3329-3258 Screening compound: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3329-3258
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide

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

3329-3258

Molecular Formula

C18H12N2O4S (C18 H12 N2 O4 S)

Compound Name

N-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide

IUPAC name

N-(4-methoxy-13-benzothiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide

SMILES

COc1cccc2c1nc(NC(C(Oc1c3cccc1)=CC3=O)=O)s2

InChI

InChI=1S/C18H12N2O4S/c1-23-13-7-4-8-15-16(13)19-18(25-15)20-17(22)14-9-11(21)10-5-2-3-6-12(10)24-14/h2-9H,1H3,(H,19,20,22)

InChI Key

HENVZFLTOCUONL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04407775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.825

Distribution Coefficient, logD

3.823

Water Solubility, LogSw

-4.21

Polar Surface Area

63.310

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

3329-3258 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3329-3258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3329-3258?
Check Price and Availability of 3329-3258, 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 3329-3258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3329-3258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3329-3258
  • 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 3329-3258 available by request