D468-1947 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-2-(4-fluorophenoxy)propanamide

D468-1947 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-2-(4-fluorophenoxy)propanamide
D468-1947 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-2-(4-fluorophenoxy)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-1947
N-(2,1,3-benzothiadiazol-5-yl)-2-(4-fluorophenoxy)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

D468-1947

Molecular Formula

C15H12FN3O2S (C15 H12 FN3 O2 S)

Compound Name

N-(2,1,3-benzothiadiazol-5-yl)-2-(4-fluorophenoxy)propanamide

IUPAC name

N-(213-benzothiadiazol-5-yl)-2-(4-fluorophenoxy)propanamide

SMILES

CC(C(Nc1cc2nsnc2cc1)=O)Oc(cc1)ccc1F

InChI

InChI=1S/C15H12FN3O2S/c1-9(21-12-5-2-10(16)3-6-12)15(20)17-11-4-7-13-14(8-11)19-22-18-13/h2-9H,1H3,(H,17,20)/t9-/m0/s1

InChI Key

SGGNIZMLKAUMSM-VIFPVBQESA-N

MDL Number (MFCD)

MFCD12918893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.545

Distribution Coefficient, logD

3.543

Water Solubility, LogSw

-3.85

Polar Surface Area

50.301

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

D468-1947 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 D468-1947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-1947?
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What is the minimum amount of D468-1947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-1947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-1947
  • 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 D468-1947 available by request