V028-9487 Screening compound: [(2,4-difluorophenyl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](2-methoxyethyl)amine

V028-9487 Screening compound: [(2,4-difluorophenyl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](2-methoxyethyl)amine
V028-9487 Screening compound: [(2,4-difluorophenyl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](2-methoxyethyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-9487
[(2,4-difluorophenyl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](2-methoxyethyl)amine

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

V028-9487

Molecular Formula

C16H21F2NO3 (C16 H21 F2 NO3)

Compound Name

[(2,4-difluorophenyl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](2-methoxyethyl)amine

IUPAC name

[(24-difluorophenyl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](2-methoxyethyl)amine

SMILES

COCCN(CC(COCC#C)O)Cc(ccc(F)c1)c1F

InChI

InChI=1S/C16H21F2NO3/c1-3-7-22-12-15(20)11-19(6-8-21-2)10-13-4-5-14(17)9-16(13)18/h1,4-5,9,15,20H,6-8,10-12H2,2H3/t15-/m0/s1

InChI Key

IHDQCKIBIHPKHD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD10453335

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

313.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.807

Distribution Coefficient, logD

1.801

Water Solubility, LogSw

-1.93

Polar Surface Area

37.515

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V028-9487 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-9487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-9487?
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What is the minimum amount of V028-9487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-9487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-9487
  • 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 V028-9487 available by request