V002-9510 Screening compound: 1-(butan-2-yl)-1-{[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-3-ethylurea

V002-9510 Screening compound: 1-(butan-2-yl)-1-{[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-3-ethylurea
V002-9510 Screening compound: 1-(butan-2-yl)-1-{[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-3-ethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-9510
1-(butan-2-yl)-1-{[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-3-ethylurea

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

V002-9510

Molecular Formula

C25H31ClN4O3 (C25 H31 ClN4 O3)

Compound Name

1-(butan-2-yl)-1-{[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-3-ethylurea

IUPAC name

1-(butan-2-yl)-1-{[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-3-ethylurea

SMILES

CCC(C)N(Cc(c(C)nn1-c2cccc(Cl)c2)c1Oc(cc1)ccc1OC)C(NCC)=O

InChI

InChI=1S/C25H31ClN4O3/c1-6-17(3)29(25(31)27-7-2)16-23-18(4)28-30(20-10-8-9-19(26)15-20)24(23)33-22-13-11-21(32-5)12-14-22/h8-15,17H,6-7,16H2,1-5H3,(H,27,31)/t17-/m0/s1

InChI Key

ONMNIOUGZVBSJJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19814909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.870

Distribution Coefficient, logD

5.870

Water Solubility, LogSw

-5.92

Polar Surface Area

54.043

Acid Dissociation Constant (pKa)

17.39

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

V002-9510 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V002-9510 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-9510?
Check Price and Availability of V002-9510, 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 V002-9510 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-9510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-9510
  • 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 V002-9510 available by request