D468-1971 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-2-(2-fluorophenoxy)butanamide

D468-1971 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-2-(2-fluorophenoxy)butanamide
D468-1971 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-2-(2-fluorophenoxy)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-1971
N-(2,1,3-benzothiadiazol-5-yl)-2-(2-fluorophenoxy)butanamide

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

D468-1971

Molecular Formula

C16H14FN3O2S (C16 H14 FN3 O2 S)

Compound Name

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

IUPAC name

N-(213-benzothiadiazol-5-yl)-2-(2-fluorophenoxy)butanamide

SMILES

CCC(C(Nc1cc2nsnc2cc1)=O)Oc(cccc1)c1F

InChI

InChI=1S/C16H14FN3O2S/c1-2-14(22-15-6-4-3-5-11(15)17)16(21)18-10-7-8-12-13(9-10)20-23-19-12/h3-9,14H,2H2,1H3,(H,18,21)/t14-/m0/s1

InChI Key

GMUQDVBLSKYZET-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD12918891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.296

Distribution Coefficient, logD

4.294

Water Solubility, LogSw

-4.29

Polar Surface Area

50.271

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

D468-1971 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 D468-1971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-1971?
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What is the minimum amount of D468-1971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-1971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-1971
  • 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 D468-1971 available by request