V001-2130 Screening compound: N-{[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclopentanecarboxamide

V001-2130 Screening compound: N-{[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclopentanecarboxamide
V001-2130 Screening compound: N-{[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-2130
N-{[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclopentanecarboxamide

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

V001-2130

Molecular Formula

C29H34ClN3O4 (C29 H34 ClN3 O4)

Compound Name

N-{[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclopentanecarboxamide

IUPAC name

N-{[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclopentanecarboxamide

SMILES

Cc(c(CN(CC1OCCC1)C(C1CCCC1)=O)c1Oc(cccc2)c2OC)nn1-c(cc1)ccc1Cl

InChI

InChI=1S/C29H34ClN3O4/c1-20-25(19-32(18-24-10-7-17-36-24)28(34)21-8-3-4-9-21)29(37-27-12-6-5-11-26(27)35-2)33(31-20)23-15-13-22(30)14-16-23/h5-6,11-16,21,24H,3-4,7-10,17-19H2,1-2H3/t24-/m1/s1

InChI Key

RXMWCXHAKRCSQP-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19811663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.06

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.581

Distribution Coefficient, logD

5.581

Water Solubility, LogSw

-5.90

Polar Surface Area

53.789

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.80

V001-2130 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 V001-2130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-2130?
Check Price and Availability of V001-2130, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V001-2130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-2130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-2130
  • 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 V001-2130 available by request