V003-0408 Screening compound: 3-tert-butyl-1-{2-[5-(4-chlorophenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]urea

V003-0408 Screening compound: 3-tert-butyl-1-{2-[5-(4-chlorophenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]urea
V003-0408 Screening compound: 3-tert-butyl-1-{2-[5-(4-chlorophenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-0408
3-tert-butyl-1-{2-[5-(4-chlorophenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]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

V003-0408

Molecular Formula

C28H35ClFN5O3 (C28 H35 ClFN5 O3)

Compound Name

3-tert-butyl-1-{2-[5-(4-chlorophenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]urea

IUPAC name

3-tert-butyl-1-{2-[5-(4-chlorophenyl)-3-(2-fluorophenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]urea

SMILES

CC(C)(C)NC(N(CCN1CCOCC1)CC(N(C(C1)c(cc2)ccc2Cl)N=C1c(cccc1)c1F)=O)=O

InChI

InChI=1S/C28H35ClFN5O3/c1-28(2,3)31-27(37)34(13-12-33-14-16-38-17-15-33)19-26(36)35-25(20-8-10-21(29)11-9-20)18-24(32-35)22-6-4-5-7-23(22)30/h4-11,25H,12-19H2,1-3H3,(H,31,37)/t25-/m0/s1

InChI Key

QERQUIXXYKXGTC-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19802504

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

544.07

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.340

Distribution Coefficient, logD

3.590

Water Solubility, LogSw

-4.79

Polar Surface Area

63.906

Acid Dissociation Constant (pKa)

16.59

Base Dissociation Constant (pKb)

8.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.40

V003-0408 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V003-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-0408?
Check Price and Availability of V003-0408, 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 V003-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-0408
  • 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 V003-0408 available by request