L337-0030 Screening compound: ethyl 2-{4-[({5-[(benzylcarbamoyl)methyl]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]phenyl}acetate

L337-0030 Screening compound: ethyl 2-{4-[({5-[(benzylcarbamoyl)methyl]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]phenyl}acetate
L337-0030 Screening compound: ethyl 2-{4-[({5-[(benzylcarbamoyl)methyl]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]phenyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound L337-0030
ethyl 2-{4-[({5-[(benzylcarbamoyl)methyl]-1,3,4-thiadiazol-2-yl}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

L337-0030

Molecular Formula

C22H23N5O4S (C22 H23 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(Cc(cc1)ccc1NC(Nc1nnc(CC(NCc2ccccc2)=O)s1)=O)=O

InChI

InChI=1S/C22H23N5O4S/c1-2-31-20(29)12-15-8-10-17(11-9-15)24-21(30)25-22-27-26-19(32-22)13-18(28)23-14-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H,23,28)(H2,24,25,27,30)

InChI Key

FEYWTXMNYHIQDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15124649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.260

Distribution Coefficient, logD

3.258

Water Solubility, LogSw

-3.42

Polar Surface Area

100.940

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

L337-0030 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Kinases
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with L337-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L337-0030?
Check Price and Availability of L337-0030, 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 L337-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L337-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L337-0030
  • 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 L337-0030 available by request