V022-9854 Screening compound: 1-[(3,4-difluorophenyl)methyl]-N-[(3-methylphenyl)methyl]-2-oxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-3'-carboxamide

V022-9854 Screening compound: 1-[(3,4-difluorophenyl)methyl]-N-[(3-methylphenyl)methyl]-2-oxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-3'-carboxamide
V022-9854 Screening compound: 1-[(3,4-difluorophenyl)methyl]-N-[(3-methylphenyl)methyl]-2-oxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-3'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-9854
1-[(3,4-difluorophenyl)methyl]-N-[(3-methylphenyl)methyl]-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

V022-9854

Molecular Formula

C26H23F2N3O2S (C26 H23 F2 N3 O2 S)

Compound Name

1-[(3,4-difluorophenyl)methyl]-N-[(3-methylphenyl)methyl]-2-oxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-3'-carboxamide

IUPAC name

1-[(34-difluorophenyl)methyl]-N-[(3-methylphenyl)methyl]-2-oxo-12-dihydrospiro[indole-32'-[13]thiazolidine]-3'-carboxamide

SMILES

Cc1cccc(CNC(N2C(c(cccc3)c3N3Cc(cc4)cc(F)c4F)(C3=O)SCC2)=O)c1

InChI

InChI=1S/C26H23F2N3O2S/c1-17-5-4-6-18(13-17)15-29-25(33)31-11-12-34-26(31)20-7-2-3-8-23(20)30(24(26)32)16-19-9-10-21(27)22(28)14-19/h2-10,13-14H,11-12,15-16H2,1H3,(H,29,33)/t26-/m0/s1

InChI Key

XIYUBVFNJKCHTA-SANMLTNESA-N

MDL Number (MFCD)

MFCD19871689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.316

Distribution Coefficient, logD

5.316

Water Solubility, LogSw

-5.31

Polar Surface Area

41.722

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

V022-9854 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V022-9854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-9854?
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What is the minimum amount of V022-9854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-9854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-9854
  • 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 V022-9854 available by request