5193-0037 Screening compound: 4-(2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenyl 2-(2,4-dioxo-1,3-thiazolan-5-yl)acetate

5193-0037 Screening compound: 4-(2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenyl 2-(2,4-dioxo-1,3-thiazolan-5-yl)acetate
5193-0037 Screening compound: 4-(2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenyl 2-(2,4-dioxo-1,3-thiazolan-5-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5193-0037
4-(2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenyl 2-(2,4-dioxo-1,3-thiazolan-5-yl)acetate

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

5193-0037

Molecular Formula

C27H21N3O5S (C27 H21 N3 O5 S)

Compound Name

4-(2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenyl 2-(2,4-dioxo-1,3-thiazolan-5-yl)acetate

IUPAC name

4-{4-phenyl-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraen-7-yl}phenyl 2-(24-dioxo-13-thiazolidin-5-yl)acetate

SMILES

O=C(CC(C(N1)=O)SC1=O)Oc1ccc(C(N(C2C3)N=C3c3ccccc3)Oc3c2cccc3)cc1

InChI

InChI=1S/C27H21N3O5S/c31-24(15-23-25(32)28-27(33)36-23)34-18-12-10-17(11-13-18)26-30-21(19-8-4-5-9-22(19)35-26)14-20(29-30)16-6-2-1-3-7-16/h1-13,21,23,26H,14-15H2,(H,28,32,33)

InChI Key

SDOVZPGNGSHGKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03130802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.465

Distribution Coefficient, logD

3.959

Water Solubility, LogSw

-4.54

Polar Surface Area

79.770

Acid Dissociation Constant (pKa)

7.06

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

18.50

5193-0037 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5193-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5193-0037?
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What is the minimum amount of 5193-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5193-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5193-0037
  • 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 5193-0037 available by request