V004-0112 Screening compound: N-(3-chlorophenyl)-1-[(3-cyanophenyl)methyl]-5-methoxy-2-oxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-3'-carboxamide

V004-0112 Screening compound: N-(3-chlorophenyl)-1-[(3-cyanophenyl)methyl]-5-methoxy-2-oxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-3'-carboxamide
V004-0112 Screening compound: N-(3-chlorophenyl)-1-[(3-cyanophenyl)methyl]-5-methoxy-2-oxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-3'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0112
N-(3-chlorophenyl)-1-[(3-cyanophenyl)methyl]-5-methoxy-2-oxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-3'-carboxamide

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

V004-0112

Molecular Formula

C26H21ClN4O3S (C26 H21 ClN4 O3 S)

Compound Name

N-(3-chlorophenyl)-1-[(3-cyanophenyl)methyl]-5-methoxy-2-oxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-3'-carboxamide

IUPAC name

N-(3-chlorophenyl)-1-[(3-cyanophenyl)methyl]-5-methoxy-2-oxo-12-dihydrospiro[indole-32'-[13]thiazolidine]-3'-carboxamide

SMILES

COc(cc1)cc(C23SCCN2C(Nc2cccc(Cl)c2)=O)c1N(Cc1cc(C#N)ccc1)C3=O

InChI

InChI=1S/C26H21ClN4O3S/c1-34-21-8-9-23-22(14-21)26(24(32)30(23)16-18-5-2-4-17(12-18)15-28)31(10-11-35-26)25(33)29-20-7-3-6-19(27)13-20/h2-9,12-14H,10-11,16H2,1H3,(H,29,33)/t26-/m0/s1

InChI Key

TVVKTLKLUQBDSZ-SANMLTNESA-N

MDL Number (MFCD)

MFCD19871770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.306

Distribution Coefficient, logD

5.306

Water Solubility, LogSw

-5.76

Polar Surface Area

65.000

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

V004-0112 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V004-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0112?
Check Price and Availability of V004-0112, 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 V004-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0112
  • 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 V004-0112 available by request