L513-0407 Screening compound: 1-(3-BROMOBENZOYL)-N~2~-[(2-PHENYL-1,3-THIAZOL-4-YL)METHYL]-2-PYRROLIDINECARBOXAMIDE

L513-0407 Screening compound: 1-(3-BROMOBENZOYL)-N~2~-[(2-PHENYL-1,3-THIAZOL-4-YL)METHYL]-2-PYRROLIDINECARBOXAMIDE
L513-0407 Screening compound: 1-(3-BROMOBENZOYL)-N~2~-[(2-PHENYL-1,3-THIAZOL-4-YL)METHYL]-2-PYRROLIDINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L513-0407
1-(3-BROMOBENZOYL)-N~2~-[(2-PHENYL-1,3-THIAZOL-4-YL)METHYL]-2-PYRROLIDINECARBOXAMIDE

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

L513-0407

Molecular Formula

C22H20BrN3O2S (C22 H20 BrN3 O2 S)

Compound Name

1-(3-BROMOBENZOYL)-N~2~-[(2-PHENYL-1,3-THIAZOL-4-YL)METHYL]-2-PYRROLIDINECARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(C(CCC1)N1C(c1cccc(Br)c1)=O)NCc1csc(-c2ccccc2)n1

InChI

InChI=1S/C22H20BrN3O2S/c23-17-9-4-8-16(12-17)22(28)26-11-5-10-19(26)20(27)24-13-18-14-29-21(25-18)15-6-2-1-3-7-15/h1-4,6-9,12,14,19H,5,10-11,13H2,(H,24,27)/t19-/m0/s1

InChI Key

GKAZUKMTVHQQEG-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.235

Distribution Coefficient, logD

4.235

Water Solubility, LogSw

-4.21

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

22.70

L513-0407 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L513-0407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L513-0407?
Check Price and Availability of L513-0407, 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 L513-0407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L513-0407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L513-0407
  • 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 L513-0407 available by request