V011-6112 Screening compound: 2-chloro-N~1~-{4-[3-(3-methylphenyl)-4-oxo-1,3-thiazolan-2-yl]phenyl}acetamide

V011-6112 Screening compound: 2-chloro-N~1~-{4-[3-(3-methylphenyl)-4-oxo-1,3-thiazolan-2-yl]phenyl}acetamide
V011-6112 Screening compound: 2-chloro-N~1~-{4-[3-(3-methylphenyl)-4-oxo-1,3-thiazolan-2-yl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-6112
2-chloro-N~1~-{4-[3-(3-methylphenyl)-4-oxo-1,3-thiazolan-2-yl]phenyl}acetamide

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

V011-6112

Molecular Formula

C18H17ClN2O2S (C18 H17 ClN2 O2 S)

Compound Name

2-chloro-N~1~-{4-[3-(3-methylphenyl)-4-oxo-1,3-thiazolan-2-yl]phenyl}acetamide

IUPAC name

2-chloro-N-{4-[3-(3-methylphenyl)-4-oxo-13-thiazolidin-2-yl]phenyl}acetamide

SMILES

Cc1cccc(N(C(c(cc2)ccc2NC(CCl)=O)SC2)C2=O)c1

InChI

InChI=1S/C18H17ClN2O2S/c1-12-3-2-4-15(9-12)21-17(23)11-24-18(21)13-5-7-14(8-6-13)20-16(22)10-19/h2-9,18H,10-11H2,1H3,(H,20,22)/t18-/m0/s1

InChI Key

KXNLYGWRLULFCT-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19854876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.415

Distribution Coefficient, logD

3.415

Water Solubility, LogSw

-3.72

Polar Surface Area

39.282

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

V011-6112 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V011-6112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-6112?
Check Price and Availability of V011-6112, 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 V011-6112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-6112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-6112
  • 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 V011-6112 available by request