V002-1079 Screening compound: (3-butoxy-2-hydroxypropyl)(cyclopropylmethyl){[1-methyl-5-(3-methylphenoxy)-3-phenyl-1H-pyrazol-4-yl]methyl}amine

V002-1079 Screening compound: (3-butoxy-2-hydroxypropyl)(cyclopropylmethyl){[1-methyl-5-(3-methylphenoxy)-3-phenyl-1H-pyrazol-4-yl]methyl}amine
V002-1079 Screening compound: (3-butoxy-2-hydroxypropyl)(cyclopropylmethyl){[1-methyl-5-(3-methylphenoxy)-3-phenyl-1H-pyrazol-4-yl]methyl}amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1079
(3-butoxy-2-hydroxypropyl)(cyclopropylmethyl){[1-methyl-5-(3-methylphenoxy)-3-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

V002-1079

Molecular Formula

C29H39N3O3 (C29 H39 N3 O3)

Compound Name

(3-butoxy-2-hydroxypropyl)(cyclopropylmethyl){[1-methyl-5-(3-methylphenoxy)-3-phenyl-1H-pyrazol-4-yl]methyl}amine

IUPAC name

(3-butoxy-2-hydroxypropyl)(cyclopropylmethyl){[1-methyl-5-(3-methylphenoxy)-3-phenyl-1H-pyrazol-4-yl]methyl}amine

SMILES

CCCCOCC(CN(CC1CC1)Cc(c(-c1ccccc1)nn1C)c1Oc1cc(C)ccc1)O

InChI

InChI=1S/C29H39N3O3/c1-4-5-16-34-21-25(33)19-32(18-23-14-15-23)20-27-28(24-11-7-6-8-12-24)30-31(3)29(27)35-26-13-9-10-22(2)17-26/h6-13,17,23,25,33H,4-5,14-16,18-21H2,1-3H3/t25-/m0/s1

InChI Key

KCUBESSYGYLPHH-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19883928

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

477.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.420

Distribution Coefficient, logD

1.849

Water Solubility, LogSw

-5.25

Polar Surface Area

50.471

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

10.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.30

References: we are preparing a list of scientific research reports with V002-1079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1079?
Check Price and Availability of V002-1079, 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 V002-1079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1079
  • 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 V002-1079 available by request