V029-5987 Screening compound: 3-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyphenyl)-3-methylurea

V029-5987 Screening compound: 3-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyphenyl)-3-methylurea
V029-5987 Screening compound: 3-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyphenyl)-3-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5987
3-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyphenyl)-3-methylurea

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

V029-5987

Molecular Formula

C27H25FN4O5 (C27 H25 FN4 O5)

Compound Name

3-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyphenyl)-3-methylurea

IUPAC name

3-{2-[5-(2H-13-benzodioxol-5-yl)-3-(4-fluorophenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyphenyl)-3-methylurea

SMILES

CN(CC(N(C(C1)c(cc2)cc3c2OCO3)N=C1c(cc1)ccc1F)=O)C(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C27H25FN4O5/c1-31(27(34)29-20-5-3-4-6-23(20)35-2)15-26(33)32-22(18-9-12-24-25(13-18)37-16-36-24)14-21(30-32)17-7-10-19(28)11-8-17/h3-13,22H,14-16H2,1-2H3,(H,29,34)/t22-/m1/s1

InChI Key

WYWWBMWRXUOWRI-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19800919

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

504.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.599

Distribution Coefficient, logD

4.599

Water Solubility, LogSw

-4.42

Polar Surface Area

75.878

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

V029-5987 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with V029-5987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5987?
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What is the minimum amount of V029-5987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5987
  • 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 V029-5987 available by request