V014-9840 Screening compound: N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-(3-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide

V014-9840 Screening compound: N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-(3-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
V014-9840 Screening compound: N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-(3-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-9840
N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-(3-chlorophenyl)-3-phenyl-1H-pyrazole-5-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

V014-9840

Molecular Formula

C36H44ClN3O2 (C36 H44 ClN3 O2)

Compound Name

N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-(3-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide

IUPAC name

N-{4-[24-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-(3-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide

SMILES

CCC(C)(C)c(cc1)cc(C(C)(C)CC)c1OCCCCNC(c1cc(-c2ccccc2)nn1-c1cccc(Cl)c1)=O

InChI

InChI=1S/C36H44ClN3O2/c1-7-35(3,4)27-19-20-33(30(23-27)36(5,6)8-2)42-22-13-12-21-38-34(41)32-25-31(26-15-10-9-11-16-26)39-40(32)29-18-14-17-28(37)24-29/h9-11,14-20,23-25H,7-8,12-13,21-22H2,1-6H3,(H,38,41)

InChI Key

ZBQJHSXZPUUHRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14240277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

10.025

Distribution Coefficient, logD

10.025

Water Solubility, LogSw

-6.26

Polar Surface Area

44.821

Acid Dissociation Constant (pKa)

15.60

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

V014-9840 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V014-9840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-9840?
Check Price and Availability of V014-9840, 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 V014-9840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-9840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-9840
  • 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 V014-9840 available by request