V028-5801 Screening compound: 1-[(2,3-dimethoxybenzyl)(4-fluorobenzyl)amino]-3-(2-propynyloxy)-2-propanol

V028-5801 Screening compound: 1-[(2,3-dimethoxybenzyl)(4-fluorobenzyl)amino]-3-(2-propynyloxy)-2-propanol
V028-5801 Screening compound: 1-[(2,3-dimethoxybenzyl)(4-fluorobenzyl)amino]-3-(2-propynyloxy)-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-5801
1-[(2,3-dimethoxybenzyl)(4-fluorobenzyl)amino]-3-(2-propynyloxy)-2-propanol

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

V028-5801

Molecular Formula

C22H26FNO4 (C22 H26 FNO4)

Compound Name

1-[(2,3-dimethoxybenzyl)(4-fluorobenzyl)amino]-3-(2-propynyloxy)-2-propanol

IUPAC name

[(23-dimethoxyphenyl)methyl][(4-fluorophenyl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]amine

SMILES

COc1cccc(CN(CC(COCC#C)O)Cc(cc2)ccc2F)c1OC

InChI

InChI=1S/C22H26FNO4/c1-4-12-28-16-20(25)15-24(13-17-8-10-19(23)11-9-17)14-18-6-5-7-21(26-2)22(18)27-3/h1,5-11,20,25H,12-16H2,2-3H3/t20-/m0/s1

InChI Key

AHHSVNASTUBNPJ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19841030

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

387.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.119

Distribution Coefficient, logD

2.872

Water Solubility, LogSw

-2.99

Polar Surface Area

44.270

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

V028-5801 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 V028-5801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-5801?
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What is the minimum amount of V028-5801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-5801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-5801
  • 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 V028-5801 available by request