C066-4848 Screening compound: N~3~-(4-bromo-2-fluorophenyl)-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide

C066-4848 Screening compound: N~3~-(4-bromo-2-fluorophenyl)-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide
C066-4848 Screening compound: N~3~-(4-bromo-2-fluorophenyl)-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4848
N~3~-(4-bromo-2-fluorophenyl)-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-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

C066-4848

Molecular Formula

C16H10BrFN2O2S (C16 H10 BrFN2 O2 S)

Compound Name

N~3~-(4-bromo-2-fluorophenyl)-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide

IUPAC name

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

SMILES

O=C(c1noc-2c1CCc1c2ccs1)Nc(ccc(Br)c1)c1F

InChI

InChI=1S/C16H10BrFN2O2S/c17-8-1-3-12(11(18)7-8)19-16(21)14-10-2-4-13-9(5-6-23-13)15(10)22-20-14/h1,3,5-7H,2,4H2,(H,19,21)

InChI Key

OGTKDALVYQUYQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.725

Distribution Coefficient, logD

4.680

Water Solubility, LogSw

-4.75

Polar Surface Area

45.731

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

-4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C066-4848 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C066-4848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4848?
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What is the minimum amount of C066-4848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4848
  • 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 C066-4848 available by request