V018-8569 Screening compound: (butan-2-yl)[2-hydroxy-3-(prop-2-en-1-yloxy)propyl]{[3-methyl-5-(3-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}amine

V018-8569 Screening compound: (butan-2-yl)[2-hydroxy-3-(prop-2-en-1-yloxy)propyl]{[3-methyl-5-(3-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}amine
V018-8569 Screening compound: (butan-2-yl)[2-hydroxy-3-(prop-2-en-1-yloxy)propyl]{[3-methyl-5-(3-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-8569
(butan-2-yl)[2-hydroxy-3-(prop-2-en-1-yloxy)propyl]{[3-methyl-5-(3-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}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

V018-8569

Molecular Formula

C28H37N3O3 (C28 H37 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)N(CC(COCC=C)O)Cc(c(C)nn1-c2ccccc2)c1Oc1cc(C)ccc1

InChI

InChI=1S/C28H37N3O3/c1-6-16-33-20-25(32)18-30(22(4)7-2)19-27-23(5)29-31(24-13-9-8-10-14-24)28(27)34-26-15-11-12-21(3)17-26/h6,8-15,17,22,25,32H,1,7,16,18-20H2,2-5H3

InChI Key

BKIZMYYDSXPPMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19887321

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

463.62

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

5.234

Distribution Coefficient, logD

3.079

Water Solubility, LogSw

-5.15

Polar Surface Area

49.096

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with V018-8569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-8569?
Check Price and Availability of V018-8569, 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 V018-8569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-8569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-8569
  • 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 V018-8569 available by request