D057-0127 Screening compound: (5'Z)-5'-(3-bromobenzylidene)-2-phenyl-1,10b-dihydro-2'H-spiro[pyrazolo[1,5-c][1,3]benzoxazine-5,4'-[1,3]thiazolidin]-2'-one

D057-0127 Screening compound: (5'Z)-5'-(3-bromobenzylidene)-2-phenyl-1,10b-dihydro-2'H-spiro[pyrazolo[1,5-c][1,3]benzoxazine-5,4'-[1,3]thiazolidin]-2'-one
D057-0127 Screening compound: (5'Z)-5'-(3-bromobenzylidene)-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 D057-0127
(5'Z)-5'-(3-bromobenzylidene)-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

D057-0127

Molecular Formula

C25H18BrN3O2S (C25 H18 BrN3 O2 S)

Compound Name

(5'Z)-5'-(3-bromobenzylidene)-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-[(3-bromophenyl)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

O=C(NC1(N(C2C3)N=C3c3ccccc3)Oc3c2cccc3)S/C1=C\c1cccc(Br)c1

InChI

InChI=1S/C25H18BrN3O2S/c26-18-10-6-7-16(13-18)14-23-25(27-24(30)32-23)29-21(19-11-4-5-12-22(19)31-25)15-20(28-29)17-8-2-1-3-9-17/h1-14,21H,15H2,(H,27,30)

InChI Key

FEPYVNVJFQZHQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06649490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.474

Distribution Coefficient, logD

6.467

Water Solubility, LogSw

-6.18

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

12.00

D057-0127 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Eccentric PPI Library (11937 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Others

References: we are preparing a list of scientific research reports with D057-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D057-0127?
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What is the minimum amount of D057-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D057-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D057-0127
  • 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 D057-0127 available by request