V004-0983 Screening compound: 1-{[5-(2-fluorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea

V004-0983 Screening compound: 1-{[5-(2-fluorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea
V004-0983 Screening compound: 1-{[5-(2-fluorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0983
1-{[5-(2-fluorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)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

V004-0983

Molecular Formula

C26H31FN4O3 (C26 H31 FN4 O3)

Compound Name

1-{[5-(2-fluorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea

IUPAC name

1-{[5-(2-fluorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea

SMILES

CC(C)NC(N(CC1OCCC1)Cc(c(-c1ccccc1)nn1C)c1Oc(cccc1)c1F)=O

InChI

InChI=1S/C26H31FN4O3/c1-18(2)28-26(32)31(16-20-12-9-15-33-20)17-21-24(19-10-5-4-6-11-19)29-30(3)25(21)34-23-14-8-7-13-22(23)27/h4-8,10-11,13-14,18,20H,9,12,15-17H2,1-3H3,(H,28,32)/t20-/m1/s1

InChI Key

JEUQOHDKQNATDP-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19804015

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.019

Distribution Coefficient, logD

4.019

Water Solubility, LogSw

-4.22

Polar Surface Area

55.333

Acid Dissociation Constant (pKa)

17.16

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with V004-0983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0983?
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What is the minimum amount of V004-0983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0983
  • 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 V004-0983 available by request