G213-0075 Screening compound: 4,5-dihydrothieno[2,3-g][1,2]benzisoxazol-3-yl[4-(4-fluorophenyl)piperazino]methanone

G213-0075 Screening compound: 4,5-dihydrothieno[2,3-g][1,2]benzisoxazol-3-yl[4-(4-fluorophenyl)piperazino]methanone
G213-0075 Screening compound: 4,5-dihydrothieno[2,3-g][1,2]benzisoxazol-3-yl[4-(4-fluorophenyl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound G213-0075
4,5-dihydrothieno[2,3-g][1,2]benzisoxazol-3-yl[4-(4-fluorophenyl)piperazino]methanone

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

G213-0075

Molecular Formula

C20H18FN3O2S (C20 H18 FN3 O2 S)

Compound Name

4,5-dihydrothieno[2,3-g][1,2]benzisoxazol-3-yl[4-(4-fluorophenyl)piperazino]methanone

IUPAC name

5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-oxa-10-thia-4-azatricyclo[7.3.0.0^{26}]dodeca-1(9)2(6)411-tetraene

SMILES

O=C(c1noc-2c1CCc1c2ccs1)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C20H18FN3O2S/c21-13-1-3-14(4-2-13)23-8-10-24(11-9-23)20(25)18-16-5-6-17-15(7-12-27-17)19(16)26-22-18/h1-4,7,12H,5-6,8-11H2

InChI Key

KYSOGINISXPPNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14986857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.783

Distribution Coefficient, logD

3.783

Water Solubility, LogSw

-4.11

Polar Surface Area

43.246

Acid Dissociation Constant (pKa)

20.30

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

G213-0075 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G213-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G213-0075?
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What is the minimum amount of G213-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G213-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G213-0075
  • 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 G213-0075 available by request