D003-0058 Screening compound: ethyl 4-[(1,2,3-benzothiadiazol-5-yl)carbamoyl]piperazine-1-carboxylate

D003-0058 Screening compound: ethyl 4-[(1,2,3-benzothiadiazol-5-yl)carbamoyl]piperazine-1-carboxylate
D003-0058 Screening compound: ethyl 4-[(1,2,3-benzothiadiazol-5-yl)carbamoyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D003-0058
ethyl 4-[(1,2,3-benzothiadiazol-5-yl)carbamoyl]piperazine-1-carboxylate

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

D003-0058

Molecular Formula

C14H17N5O3S (C14 H17 N5 O3 S)

Compound Name

ethyl 4-[(1,2,3-benzothiadiazol-5-yl)carbamoyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[(123-benzothiadiazol-5-yl)carbamoyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(Nc(cc1)cc2c1snn2)=O)=O

InChI

InChI=1S/C14H17N5O3S/c1-2-22-14(21)19-7-5-18(6-8-19)13(20)15-10-3-4-12-11(9-10)16-17-23-12/h3-4,9H,2,5-8H2,1H3,(H,15,20)

InChI Key

GDQRCCRBGLPAOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03711632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.995

Distribution Coefficient, logD

1.995

Water Solubility, LogSw

-2.83

Polar Surface Area

70.069

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

D003-0058 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 D003-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D003-0058?
Check Price and Availability of D003-0058, 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 D003-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D003-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D003-0058
  • 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 D003-0058 available by request