L512-0098 Screening compound: 1-[(4-BROMOPHENYL)SULFONYL]-N-[(2-METHYL-1,3-THIAZOL-4-YL)METHYL]PROLINAMIDE

L512-0098 Screening compound: 1-[(4-BROMOPHENYL)SULFONYL]-N-[(2-METHYL-1,3-THIAZOL-4-YL)METHYL]PROLINAMIDE
L512-0098 Screening compound: 1-[(4-BROMOPHENYL)SULFONYL]-N-[(2-METHYL-1,3-THIAZOL-4-YL)METHYL]PROLINAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L512-0098
1-[(4-BROMOPHENYL)SULFONYL]-N-[(2-METHYL-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

L512-0098

Molecular Formula

C16H18BrN3O3S2 (C16 H18 BrN3 O3 S2)

Compound Name

1-[(4-BROMOPHENYL)SULFONYL]-N-[(2-METHYL-1,3-THIAZOL-4-YL)METHYL]PROLINAMIDE

IUPAC name

n/a

SMILES

Cc1nc(CNC(C(CCC2)N2S(c(cc2)ccc2Br)(=O)=O)=O)cs1

InChI

InChI=1S/C16H18BrN3O3S2/c1-11-19-13(10-24-11)9-18-16(21)15-3-2-8-20(15)25(22,23)14-6-4-12(17)5-7-14/h4-7,10,15H,2-3,8-9H2,1H3,(H,18,21)/t15-/m0/s1

InChI Key

FAVYOJNTJBEXTC-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.712

Distribution Coefficient, logD

2.712

Water Solubility, LogSw

-3.23

Polar Surface Area

67.507

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

L512-0098 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with L512-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L512-0098?
Check Price and Availability of L512-0098, 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 L512-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L512-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L512-0098
  • 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 L512-0098 available by request