D310-0183 Screening compound: N-[(4-chlorophenyl)methyl]-5-fluoro-3-methyl-N-[(oxolan-2-yl)methyl]-1-benzofuran-2-carboxamide

D310-0183 Screening compound: N-[(4-chlorophenyl)methyl]-5-fluoro-3-methyl-N-[(oxolan-2-yl)methyl]-1-benzofuran-2-carboxamide
D310-0183 Screening compound: N-[(4-chlorophenyl)methyl]-5-fluoro-3-methyl-N-[(oxolan-2-yl)methyl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D310-0183
N-[(4-chlorophenyl)methyl]-5-fluoro-3-methyl-N-[(oxolan-2-yl)methyl]-1-benzofuran-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

D310-0183

Molecular Formula

C22H21ClFNO3 (C22 H21 ClFNO3)

Compound Name

N-[(4-chlorophenyl)methyl]-5-fluoro-3-methyl-N-[(oxolan-2-yl)methyl]-1-benzofuran-2-carboxamide

IUPAC name

N-[(4-chlorophenyl)methyl]-5-fluoro-3-methyl-N-[(oxolan-2-yl)methyl]-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(N(CC2OCCC2)Cc(cc2)ccc2Cl)=O)oc(cc2)c1cc2F

InChI

InChI=1S/C22H21ClFNO3/c1-14-19-11-17(24)8-9-20(19)28-21(14)22(26)25(13-18-3-2-10-27-18)12-15-4-6-16(23)7-5-15/h4-9,11,18H,2-3,10,12-13H2,1H3/t18-/m1/s1

InChI Key

YOXDKBBHTVWAOF-GOSISDBHSA-N

MDL Number (MFCD)

MFCD07454042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.756

Distribution Coefficient, logD

4.756

Water Solubility, LogSw

-4.83

Polar Surface Area

33.358

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

D310-0183 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 compounds)

Human Proteases Annotated Library (2868 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D310-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D310-0183?
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What is the minimum amount of D310-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D310-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D310-0183
  • 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 D310-0183 available by request