V004-4271 Screening compound: 1-[(cyclopropylmethyl)({[3-ethyl-5-(4-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl})amino]hex-5-en-2-ol

V004-4271 Screening compound: 1-[(cyclopropylmethyl)({[3-ethyl-5-(4-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl})amino]hex-5-en-2-ol
V004-4271 Screening compound: 1-[(cyclopropylmethyl)({[3-ethyl-5-(4-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl})amino]hex-5-en-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-4271
1-[(cyclopropylmethyl)({[3-ethyl-5-(4-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl})amino]hex-5-en-2-ol

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

V004-4271

Molecular Formula

C28H34FN3O2 (C28 H34 FN3 O2)

Compound Name

1-[(cyclopropylmethyl)({[3-ethyl-5-(4-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl})amino]hex-5-en-2-ol

IUPAC name

1-[(cyclopropylmethyl)({[3-ethyl-5-(4-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl})amino]hex-5-en-2-ol

SMILES

CCc(c(CN(CC(CCC=C)O)CC1CC1)c1Oc(cc2)ccc2F)nn1-c1ccccc1

InChI

InChI=1S/C28H34FN3O2/c1-3-5-11-24(33)19-31(18-21-12-13-21)20-26-27(4-2)30-32(23-9-7-6-8-10-23)28(26)34-25-16-14-22(29)15-17-25/h3,6-10,14-17,21,24,33H,1,4-5,11-13,18-20H2,2H3/t24-/m0/s1

InChI Key

RTNMFEJTRSBKEE-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19884991

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

463.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.084

Distribution Coefficient, logD

2.678

Water Solubility, LogSw

-5.63

Polar Surface Area

42.463

Acid Dissociation Constant (pKa)

16.82

Base Dissociation Constant (pKb)

10.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with V004-4271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-4271?
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What is the minimum amount of V004-4271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-4271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-4271
  • 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 V004-4271 available by request