V012-3309 Screening compound: N-{[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]furan-2-carboxamide

V012-3309 Screening compound: N-{[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]furan-2-carboxamide
V012-3309 Screening compound: N-{[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-3309
N-{[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]furan-2-carboxamide

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

V012-3309

Molecular Formula

C29H29F2N3O5 (C29 H29 F2 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CCc(c(CN(CC1OCCC1)C(c1ccco1)=O)c1Oc(ccc(F)c2)c2F)nn1-c(cc1)ccc1OC

InChI

InChI=1S/C29H29F2N3O5/c1-3-25-23(18-33(17-22-6-4-14-37-22)28(35)27-7-5-15-38-27)29(39-26-13-8-19(30)16-24(26)31)34(32-25)20-9-11-21(36-2)12-10-20/h5,7-13,15-16,22H,3-4,6,14,17-18H2,1-2H3/t22-/m1/s1

InChI Key

ZEYSFRMSMULFTO-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19806323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.874

Distribution Coefficient, logD

4.874

Water Solubility, LogSw

-4.70

Polar Surface Area

62.412

Acid Dissociation Constant (pKa)

25.02

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

V012-3309 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V012-3309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-3309?
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What is the minimum amount of V012-3309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-3309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-3309
  • 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 V012-3309 available by request