D457-0011 Screening compound: 2-bromo-N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide

D457-0011 Screening compound: 2-bromo-N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
D457-0011 Screening compound: 2-bromo-N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D457-0011
2-bromo-N-[3-(4-ethoxyphenyl)-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

D457-0011

Molecular Formula

C17H14BrN3O2S (C17 H14 BrN3 O2 S)

Compound Name

2-bromo-N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide

IUPAC name

2-bromo-N-[3-(4-ethoxyphenyl)-124-thiadiazol-5-yl]benzamide

SMILES

CCOc(cc1)ccc1-c1nsc(NC(c(cccc2)c2Br)=O)n1

InChI

InChI=1S/C17H14BrN3O2S/c1-2-23-12-9-7-11(8-10-12)15-19-17(24-21-15)20-16(22)13-5-3-4-6-14(13)18/h3-10H,2H2,1H3,(H,19,20,21,22)

InChI Key

JDNZNYNPFKMCQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12921077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.29

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

4.710

Distribution Coefficient, logD

4.666

Water Solubility, LogSw

-4.35

Polar Surface Area

51.041

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

-4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D457-0011 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D457-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D457-0011?
Check Price and Availability of D457-0011, 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 D457-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D457-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D457-0011
  • 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 D457-0011 available by request