2513-0917 Screening compound: N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-4-[bis(2-methoxyethyl)sulfamoyl]benzamide

2513-0917 Screening compound: N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-4-[bis(2-methoxyethyl)sulfamoyl]benzamide
2513-0917 Screening compound: N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-4-[bis(2-methoxyethyl)sulfamoyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-0917
N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-4-[bis(2-methoxyethyl)sulfamoyl]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

2513-0917

Molecular Formula

C25H34N4O5S2 (C25 H34 N4 O5 S2)

Compound Name

N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-4-[bis(2-methoxyethyl)sulfamoyl]benzamide

IUPAC name

N-[5-(adamantan-1-yl)-134-thiadiazol-2-yl]-4-[bis(2-methoxyethyl)sulfamoyl]benzamide

SMILES

COCCN(CCOC)S(c(cc1)ccc1C(Nc1nnc(C2(CC(C3)C4)CC4CC3C2)s1)=O)(=O)=O

InChI

InChI=1S/C25H34N4O5S2/c1-33-9-7-29(8-10-34-2)36(31,32)21-5-3-20(4-6-21)22(30)26-24-28-27-23(35-24)25-14-17-11-18(15-25)13-19(12-17)16-25/h3-6,17-19H,7-16H2,1-2H3,(H,26,28,30)

InChI Key

FJRVRTWCNNEUSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.7

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.712

Distribution Coefficient, logD

3.564

Water Solubility, LogSw

-4.29

Polar Surface Area

94.925

Acid Dissociation Constant (pKa)

6.28

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.00

2513-0917 in Drug Discovery

Included in Screening Libraries

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 2513-0917 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2513-0917?
Check Price and Availability of 2513-0917, 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 2513-0917 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-0917
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-0917
  • 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 2513-0917 available by request