V030-9009 Screening compound: (2E)-N-[(5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide

V030-9009 Screening compound: (2E)-N-[(5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide
V030-9009 Screening compound: (2E)-N-[(5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-9009
(2E)-N-[(5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide

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

V030-9009

Molecular Formula

C18H15F2NO2 (C18 H15 F2 NO2)

Compound Name

(2E)-N-[(5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide

IUPAC name

(2E)-N-[(57-difluoro-23-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide

SMILES

O=C(/C=C/c1ccccc1)NCC(Cc1cc(F)c2)Oc1c2F

InChI

InChI=1S/C18H15F2NO2/c19-14-8-13-9-15(23-18(13)16(20)10-14)11-21-17(22)7-6-12-4-2-1-3-5-12/h1-8,10,15H,9,11H2,(H,21,22)/t15-/m0/s1

InChI Key

VPXNQGUVRIQBPP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19952366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.127

Distribution Coefficient, logD

4.127

Water Solubility, LogSw

-4.33

Polar Surface Area

31.719

Acid Dissociation Constant (pKa)

14.48

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

V030-9009 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V030-9009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-9009?
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What is the minimum amount of V030-9009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-9009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-9009
  • 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 V030-9009 available by request