D468-1952 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide

D468-1952 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide
D468-1952 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-1952
N-(2,1,3-benzothiadiazol-5-yl)-2-(4-chloro-3,5-dimethylphenoxy)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

D468-1952

Molecular Formula

C17H16ClN3O2S (C17 H16 ClN3 O2 S)

Compound Name

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

IUPAC name

N-(213-benzothiadiazol-5-yl)-2-(4-chloro-35-dimethylphenoxy)propanamide

SMILES

CC(C(Nc1cc2nsnc2cc1)=O)Oc(cc1C)cc(C)c1Cl

InChI

InChI=1S/C17H16ClN3O2S/c1-9-6-13(7-10(2)16(9)18)23-11(3)17(22)19-12-4-5-14-15(8-12)21-24-20-14/h4-8,11H,1-3H3,(H,19,22)/t11-/m0/s1

InChI Key

WRRCCOOXORFJID-NSHDSACASA-N

MDL Number (MFCD)

MFCD12919554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.85

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

5.161

Distribution Coefficient, logD

5.159

Water Solubility, LogSw

-5.57

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

23.50

D468-1952 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D468-1952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-1952?
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What is the minimum amount of D468-1952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-1952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-1952
  • 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 D468-1952 available by request