D057-0062 Screening compound: (5'Z)-5'-(4-tert-butylbenzylidene)-2-phenyl-1,10b-dihydro-2'H-spiro[pyrazolo[1,5-c][1,3]benzoxazine-5,4'-[1,3]thiazolidin]-2'-one

D057-0062 Screening compound: (5'Z)-5'-(4-tert-butylbenzylidene)-2-phenyl-1,10b-dihydro-2'H-spiro[pyrazolo[1,5-c][1,3]benzoxazine-5,4'-[1,3]thiazolidin]-2'-one
D057-0062 Screening compound: (5'Z)-5'-(4-tert-butylbenzylidene)-2-phenyl-1,10b-dihydro-2'H-spiro[pyrazolo[1,5-c][1,3]benzoxazine-5,4'-[1,3]thiazolidin]-2'-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D057-0062
(5'Z)-5'-(4-tert-butylbenzylidene)-2-phenyl-1,10b-dihydro-2'H-spiro[pyrazolo[1,5-c][1,3]benzoxazine-5,4'-[1,3]thiazolidin]-2'-one

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

D057-0062

Molecular Formula

C29H27N3O2S (C29 H27 N3 O2 S)

Compound Name

(5'Z)-5'-(4-tert-butylbenzylidene)-2-phenyl-1,10b-dihydro-2'H-spiro[pyrazolo[1,5-c][1,3]benzoxazine-5,4'-[1,3]thiazolidin]-2'-one

IUPAC name

(2Z)-2-[(4-tert-butylphenyl)methylidene]-4'-phenyl-8'-oxa-5'6'-diazaspiro[14-thiazolidine-37'-tricyclo[7.4.0.0^{26}]tridecane]-1'(13')4'9'11'-tetraen-5-one

SMILES

CC(C)(C)c1ccc(/C=C(/C(N2)(N(C3C4)N=C4c4ccccc4)Oc4c3cccc4)\SC2=O)cc1

InChI

InChI=1S/C29H27N3O2S/c1-28(2,3)21-15-13-19(14-16-21)17-26-29(30-27(33)35-26)32-24(22-11-7-8-12-25(22)34-29)18-23(31-32)20-9-5-4-6-10-20/h4-17,24H,18H2,1-3H3,(H,30,33)

InChI Key

ZIBXVENCRJFMAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05840814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.487

Distribution Coefficient, logD

7.479

Water Solubility, LogSw

-5.86

Polar Surface Area

46.666

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.10

D057-0062 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D057-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D057-0062?
Check Price and Availability of D057-0062, 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 D057-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D057-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D057-0062
  • 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 D057-0062 available by request