V029-8619 Screening compound: 3-(butan-2-yl)-3-{[5-(dimethylamino)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}-1-(2-methoxyphenyl)urea

V029-8619 Screening compound: 3-(butan-2-yl)-3-{[5-(dimethylamino)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}-1-(2-methoxyphenyl)urea
V029-8619 Screening compound: 3-(butan-2-yl)-3-{[5-(dimethylamino)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}-1-(2-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-8619
3-(butan-2-yl)-3-{[5-(dimethylamino)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}-1-(2-methoxyphenyl)urea

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

V029-8619

Molecular Formula

C25H33N5O2 (C25 H33 N5 O2)

Compound Name

3-(butan-2-yl)-3-{[5-(dimethylamino)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}-1-(2-methoxyphenyl)urea

IUPAC name

3-(butan-2-yl)-3-{[5-(dimethylamino)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}-1-(2-methoxyphenyl)urea

SMILES

CCC(C)N(Cc1c(N(C)C)n(C)nc1-c1ccccc1)C(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C25H33N5O2/c1-7-18(2)30(25(31)26-21-15-11-12-16-22(21)32-6)17-20-23(19-13-9-8-10-14-19)27-29(5)24(20)28(3)4/h8-16,18H,7,17H2,1-6H3,(H,26,31)/t18-/m0/s1

InChI Key

KJHOWMZKFKOJGO-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19814908

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

435.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.741

Distribution Coefficient, logD

4.741

Water Solubility, LogSw

-4.48

Polar Surface Area

47.903

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

V029-8619 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V029-8619 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-8619?
Check Price and Availability of V029-8619, 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 V029-8619 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8619
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8619
  • 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 V029-8619 available by request