L513-0337 Screening compound: 1-(4-TERT-BUTYLBENZOYL)-N-[(2-PHENYL-1,3-THIAZOL-4-YL)METHYL]PROLINAMIDE

L513-0337 Screening compound: 1-(4-TERT-BUTYLBENZOYL)-N-[(2-PHENYL-1,3-THIAZOL-4-YL)METHYL]PROLINAMIDE
L513-0337 Screening compound: 1-(4-TERT-BUTYLBENZOYL)-N-[(2-PHENYL-1,3-THIAZOL-4-YL)METHYL]PROLINAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L513-0337
1-(4-TERT-BUTYLBENZOYL)-N-[(2-PHENYL-1,3-THIAZOL-4-YL)METHYL]PROLINAMIDE

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

L513-0337

Molecular Formula

C26H29N3O2S (C26 H29 N3 O2 S)

Compound Name

1-(4-TERT-BUTYLBENZOYL)-N-[(2-PHENYL-1,3-THIAZOL-4-YL)METHYL]PROLINAMIDE

IUPAC name

n/a

SMILES

CC(C)(C)c(cc1)ccc1C(N(CCC1)C1C(NCc1csc(-c2ccccc2)n1)=O)=O

InChI

InChI=1S/C26H29N3O2S/c1-26(2,3)20-13-11-19(12-14-20)25(31)29-15-7-10-22(29)23(30)27-16-21-17-32-24(28-21)18-8-5-4-6-9-18/h4-6,8-9,11-14,17,22H,7,10,15-16H2,1-3H3,(H,27,30)/t22-/m0/s1

InChI Key

FUWZACCJOCMROK-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.265

Distribution Coefficient, logD

5.265

Water Solubility, LogSw

-5.14

Polar Surface Area

51.589

Acid Dissociation Constant (pKa)

13.55

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

L513-0337 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Proteases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with L513-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L513-0337?
Check Price and Availability of L513-0337, 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 L513-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L513-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L513-0337
  • 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 L513-0337 available by request