L062-0417 Screening compound: ethyl 2-(4-{[({5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}methyl)carbamoyl]amino}phenyl)acetate

L062-0417 Screening compound: ethyl 2-(4-{[({5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}methyl)carbamoyl]amino}phenyl)acetate
L062-0417 Screening compound: ethyl 2-(4-{[({5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}methyl)carbamoyl]amino}phenyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound L062-0417
ethyl 2-(4-{[({5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}methyl)carbamoyl]amino}phenyl)acetate

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

L062-0417

Molecular Formula

C22H23N5O5S (C22 H23 N5 O5 S)

Compound Name

ethyl 2-(4-{[({5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}methyl)carbamoyl]amino}phenyl)acetate

IUPAC name

ethyl 2-(4-{[({5-[(4-methoxyphenyl)carbamoyl]-134-thiadiazol-2-yl}methyl)carbamoyl]amino}phenyl)acetate

SMILES

CCOC(Cc(cc1)ccc1NC(NCc1nnc(C(Nc(cc2)ccc2OC)=O)s1)=O)=O

InChI

InChI=1S/C22H23N5O5S/c1-3-32-19(28)12-14-4-6-16(7-5-14)25-22(30)23-13-18-26-27-21(33-18)20(29)24-15-8-10-17(31-2)11-9-15/h4-11H,3,12-13H2,1-2H3,(H,24,29)(H2,23,25,30)

InChI Key

KVZCLLITLWKNGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15117101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.894

Distribution Coefficient, logD

2.894

Water Solubility, LogSw

-3.54

Polar Surface Area

108.657

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

L062-0417 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L062-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L062-0417?
Check Price and Availability of L062-0417, 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 L062-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L062-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L062-0417
  • 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 L062-0417 available by request