F601-0801 Screening compound: N-(1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)methyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide

F601-0801 Screening compound: N-(1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)methyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide
F601-0801 Screening compound: N-(1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)methyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F601-0801
N-(1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)methyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-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

F601-0801

Molecular Formula

C23H17N3O3S (C23 H17 N3 O3 S)

Compound Name

N-(1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)methyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide

IUPAC name

N-(13-benzothiazol-2-yl)-3-[(4-methylphenyl)methyl]-2-oxo-23-dihydro-13-benzoxazole-5-carboxamide

SMILES

Cc1ccc(CN(c(cc(cc2)C(Nc3nc(cccc4)c4s3)=O)c2O2)C2=O)cc1

InChI

InChI=1S/C23H17N3O3S/c1-14-6-8-15(9-7-14)13-26-18-12-16(10-11-19(18)29-23(26)28)21(27)25-22-24-17-4-2-3-5-20(17)30-22/h2-12H,13H2,1H3,(H,24,25,27)

InChI Key

YSNVDDNJSZPBMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27178639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.418

Distribution Coefficient, logD

5.418

Water Solubility, LogSw

-5.33

Polar Surface Area

55.920

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

F601-0801 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with F601-0801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F601-0801?
Check Price and Availability of F601-0801, 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 F601-0801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F601-0801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F601-0801
  • 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 F601-0801 available by request