3617-0690 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-nitrophenoxy)acetamide

3617-0690 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-nitrophenoxy)acetamide
3617-0690 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-nitrophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3617-0690
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-nitrophenoxy)acetamide

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

3617-0690

Molecular Formula

C12H12N4O4S (C12 H12 N4 O4 S)

Compound Name

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-nitrophenoxy)acetamide

IUPAC name

N-(5-ethyl-134-thiadiazol-2-yl)-2-(4-nitrophenoxy)acetamide

SMILES

CCc1nnc(NC(COc(cc2)ccc2[N+]([O-])=O)=O)s1

InChI

InChI=1S/C12H12N4O4S/c1-2-11-14-15-12(21-11)13-10(17)7-20-9-5-3-8(4-6-9)16(18)19/h3-6H,2,7H2,1H3,(H,13,15,17)

InChI Key

PWPQKSQKOYUWSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02356438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.572

Distribution Coefficient, logD

2.509

Water Solubility, LogSw

-3.00

Polar Surface Area

88.037

Acid Dissociation Constant (pKa)

8.20

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3617-0690 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3617-0690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3617-0690?
Check Price and Availability of 3617-0690, 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 3617-0690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3617-0690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3617-0690
  • 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 3617-0690 available by request