D468-1945 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-2-(2-methoxyphenoxy)propanamide

D468-1945 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-2-(2-methoxyphenoxy)propanamide
D468-1945 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-2-(2-methoxyphenoxy)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-1945
N-(2,1,3-benzothiadiazol-5-yl)-2-(2-methoxyphenoxy)propanamide

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

D468-1945

Molecular Formula

C16H15N3O3S (C16 H15 N3 O3 S)

Compound Name

N-(2,1,3-benzothiadiazol-5-yl)-2-(2-methoxyphenoxy)propanamide

IUPAC name

N-(213-benzothiadiazol-5-yl)-2-(2-methoxyphenoxy)propanamide

SMILES

CC(C(Nc1cc2nsnc2cc1)=O)Oc(cccc1)c1OC

InChI

InChI=1S/C16H15N3O3S/c1-10(22-15-6-4-3-5-14(15)21-2)16(20)17-11-7-8-12-13(9-11)19-23-18-12/h3-10H,1-2H3,(H,17,20)/t10-/m0/s1

InChI Key

IALCJKXPLPBDTB-JTQLQIEISA-N

MDL Number (MFCD)

MFCD12920035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.374

Distribution Coefficient, logD

3.373

Water Solubility, LogSw

-3.81

Polar Surface Area

58.018

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

D468-1945 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 D468-1945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-1945?
Check Price and Availability of D468-1945, 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 D468-1945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-1945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-1945
  • 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 D468-1945 available by request