V004-1659 Screening compound: 1-{[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea

V004-1659 Screening compound: 1-{[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea
V004-1659 Screening compound: 1-{[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-1659
1-{[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)-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

V004-1659

Molecular Formula

C28H34F2N4O4 (C28 H34 F2 N4 O4)

Compound Name

1-{[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea

IUPAC name

1-{[5-(24-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea

SMILES

CCc(c(CN(CC1OCCC1)C(NC(C)C)=O)c1Oc(ccc(F)c2)c2F)nn1-c(cc1)ccc1OC

InChI

InChI=1S/C28H34F2N4O4/c1-5-25-23(17-33(28(35)31-18(2)3)16-22-7-6-14-37-22)27(38-26-13-8-19(29)15-24(26)30)34(32-25)20-9-11-21(36-4)12-10-20/h8-13,15,18,22H,5-7,14,16-17H2,1-4H3,(H,31,35)/t22-/m1/s1

InChI Key

CYAWVFZFYANPFL-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19802941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.073

Distribution Coefficient, logD

5.073

Water Solubility, LogSw

-4.74

Polar Surface Area

63.222

Acid Dissociation Constant (pKa)

17.16

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

V004-1659 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-1659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-1659?
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What is the minimum amount of V004-1659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-1659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-1659
  • 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 V004-1659 available by request