V027-6863 Screening compound: 3-fluoro-N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(trifluoromethyl)benzamide

V027-6863 Screening compound: 3-fluoro-N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(trifluoromethyl)benzamide
V027-6863 Screening compound: 3-fluoro-N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-6863
3-fluoro-N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(trifluoromethyl)benzamide

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

V027-6863

Molecular Formula

C18H15F4NO3 (C18 H15 F4 NO3)

Compound Name

3-fluoro-N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(trifluoromethyl)benzamide

IUPAC name

3-fluoro-N-[(5-methoxy-23-dihydro-1-benzofuran-2-yl)methyl]-5-(trifluoromethyl)benzamide

SMILES

COc(cc1)cc2c1OC(CNC(c1cc(C(F)(F)F)cc(F)c1)=O)C2

InChI

InChI=1S/C18H15F4NO3/c1-25-14-2-3-16-10(6-14)7-15(26-16)9-23-17(24)11-4-12(18(20,21)22)8-13(19)5-11/h2-6,8,15H,7,9H2,1H3,(H,23,24)/t15-/m1/s1

InChI Key

PTKSKPXUUJSNRS-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD19952384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.993

Distribution Coefficient, logD

3.993

Water Solubility, LogSw

-4.34

Polar Surface Area

39.792

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

-4.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.78

V027-6863 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V027-6863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-6863?
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What is the minimum amount of V027-6863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-6863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-6863
  • 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 V027-6863 available by request