D050-0140 Screening compound: N-(1,2-benzoxazol-3-yl)-5-{[(2-fluorophenyl)methanesulfonyl]methyl}furan-2-carboxamide

D050-0140 Screening compound: N-(1,2-benzoxazol-3-yl)-5-{[(2-fluorophenyl)methanesulfonyl]methyl}furan-2-carboxamide
D050-0140 Screening compound: N-(1,2-benzoxazol-3-yl)-5-{[(2-fluorophenyl)methanesulfonyl]methyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D050-0140
N-(1,2-benzoxazol-3-yl)-5-{[(2-fluorophenyl)methanesulfonyl]methyl}furan-2-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

D050-0140

Molecular Formula

C20H15FN2O5S (C20 H15 FN2 O5 S)

Compound Name

N-(1,2-benzoxazol-3-yl)-5-{[(2-fluorophenyl)methanesulfonyl]methyl}furan-2-carboxamide

IUPAC name

N-(12-benzoxazol-3-yl)-5-{[(2-fluorophenyl)methanesulfonyl]methyl}furan-2-carboxamide

SMILES

O=C(c1ccc(CS(Cc(cccc2)c2F)(=O)=O)o1)Nc1noc2c1cccc2

InChI

InChI=1S/C20H15FN2O5S/c21-16-7-3-1-5-13(16)11-29(25,26)12-14-9-10-18(27-14)20(24)22-19-15-6-2-4-8-17(15)28-23-19/h1-10H,11-12H2,(H,22,23,24)

InChI Key

ZENAUWRPGKPLLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08362459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.761

Distribution Coefficient, logD

3.750

Water Solubility, LogSw

-4.19

Polar Surface Area

81.268

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D050-0140 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D050-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D050-0140?
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What is the minimum amount of D050-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D050-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D050-0140
  • 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 D050-0140 available by request