L253-0397 Screening compound: 5-[2-(benzylcarbamoyl)ethyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide

L253-0397 Screening compound: 5-[2-(benzylcarbamoyl)ethyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
L253-0397 Screening compound: 5-[2-(benzylcarbamoyl)ethyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L253-0397
5-[2-(benzylcarbamoyl)ethyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide

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

L253-0397

Molecular Formula

C21H18N6O2S2 (C21 H18 N6 O2 S2)

Compound Name

5-[2-(benzylcarbamoyl)ethyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-[2-(benzylcarbamoyl)ethyl]-N-(5-phenyl-134-thiadiazol-2-yl)-134-thiadiazole-2-carboxamide

SMILES

O=C(CCc1nnc(C(Nc2nnc(-c3ccccc3)s2)=O)s1)NCc1ccccc1

InChI

InChI=1S/C21H18N6O2S2/c28-16(22-13-14-7-3-1-4-8-14)11-12-17-24-26-20(30-17)18(29)23-21-27-25-19(31-21)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,22,28)(H,23,27,29)

InChI Key

IDLJMYGQJMEGBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15121003

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

450.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.322

Distribution Coefficient, logD

3.319

Water Solubility, LogSw

-3.55

Polar Surface Area

94.802

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

L253-0397 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L253-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L253-0397?
Check Price and Availability of L253-0397, 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 L253-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L253-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L253-0397
  • 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 L253-0397 available by request