D457-0399 Screening compound: 3-chloro-N-[3-(3-methoxy-4-propoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide

D457-0399 Screening compound: 3-chloro-N-[3-(3-methoxy-4-propoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
D457-0399 Screening compound: 3-chloro-N-[3-(3-methoxy-4-propoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D457-0399
3-chloro-N-[3-(3-methoxy-4-propoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide

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

D457-0399

Molecular Formula

C19H18ClN3O3S (C19 H18 ClN3 O3 S)

Compound Name

3-chloro-N-[3-(3-methoxy-4-propoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide

IUPAC name

3-chloro-N-[3-(3-methoxy-4-propoxyphenyl)-124-thiadiazol-5-yl]benzamide

SMILES

CCCOc(ccc(-c1nsc(NC(c2cccc(Cl)c2)=O)n1)c1)c1OC

InChI

InChI=1S/C19H18ClN3O3S/c1-3-9-26-15-8-7-12(11-16(15)25-2)17-21-19(27-23-17)22-18(24)13-5-4-6-14(20)10-13/h4-8,10-11H,3,9H2,1-2H3,(H,21,22,23,24)

InChI Key

QXBVIBOGSJSHFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12921086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.339

Distribution Coefficient, logD

5.298

Water Solubility, LogSw

-5.89

Polar Surface Area

59.052

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D457-0399 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with D457-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D457-0399?
Check Price and Availability of D457-0399, 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 D457-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D457-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D457-0399
  • 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 D457-0399 available by request