V008-1056 Screening compound: {[3-ethyl-5-(4-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](propan-2-yl)amine

V008-1056 Screening compound: {[3-ethyl-5-(4-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](propan-2-yl)amine
V008-1056 Screening compound: {[3-ethyl-5-(4-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](propan-2-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-1056
{[3-ethyl-5-(4-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](propan-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

V008-1056

Molecular Formula

C28H35N3O3 (C28 H35 N3 O3)

Compound Name

{[3-ethyl-5-(4-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](propan-2-yl)amine

IUPAC name

{[3-ethyl-5-(4-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](propan-2-yl)amine

SMILES

CCc(c(CN(CC(COCC#C)O)C(C)C)c1Oc2ccc(C)cc2)nn1-c1ccccc1

InChI

InChI=1S/C28H35N3O3/c1-6-17-33-20-24(32)18-30(21(3)4)19-26-27(7-2)29-31(23-11-9-8-10-12-23)28(26)34-25-15-13-22(5)14-16-25/h1,8-16,21,24,32H,7,17-20H2,2-5H3/t24-/m0/s1

InChI Key

CWQZZGFWIOBREI-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19979316

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

461.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.152

Distribution Coefficient, logD

3.552

Water Solubility, LogSw

-5.02

Polar Surface Area

50.200

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

8.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

V008-1056 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 V008-1056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-1056?
Check Price and Availability of V008-1056, 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 V008-1056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-1056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-1056
  • 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 V008-1056 available by request