V011-8451 Screening compound: ({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](3-methylbutan-2-yl)amine

V011-8451 Screening compound: ({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](3-methylbutan-2-yl)amine
V011-8451 Screening compound: ({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](3-methylbutan-2-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-8451
({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](3-methylbutan-2-yl)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

V011-8451

Molecular Formula

C23H31FN2O2 (C23 H31 FN2 O2)

Compound Name

({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](3-methylbutan-2-yl)amine

IUPAC name

({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](3-methylbutan-2-yl)amine

SMILES

CC(C)C(C)N(CC(COCC#C)O)Cc1cccn1Cc(cc1)ccc1F

InChI

InChI=1S/C23H31FN2O2/c1-5-13-28-17-23(27)16-26(19(4)18(2)3)15-22-7-6-12-25(22)14-20-8-10-21(24)11-9-20/h1,6-12,18-19,23,27H,13-17H2,2-4H3

InChI Key

CZVPUEKEXVFVJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19772740

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

386.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.980

Distribution Coefficient, logD

3.890

Water Solubility, LogSw

-3.94

Polar Surface Area

30.520

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.80

V011-8451 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 V011-8451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-8451?
Check Price and Availability of V011-8451, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V011-8451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-8451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-8451
  • 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 V011-8451 available by request