V007-9840 Screening compound: ethyl 5-(naphthalen-2-yl)-1-{4-[(4-phenylbutan-2-yl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate

V007-9840 Screening compound: ethyl 5-(naphthalen-2-yl)-1-{4-[(4-phenylbutan-2-yl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
V007-9840 Screening compound: ethyl 5-(naphthalen-2-yl)-1-{4-[(4-phenylbutan-2-yl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-9840
ethyl 5-(naphthalen-2-yl)-1-{4-[(4-phenylbutan-2-yl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate

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

V007-9840

Molecular Formula

C33H31N3O3 (C33 H31 N3 O3)

Compound Name

ethyl 5-(naphthalen-2-yl)-1-{4-[(4-phenylbutan-2-yl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate

IUPAC name

ethyl 5-(naphthalen-2-yl)-1-{4-[(4-phenylbutan-2-yl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate

SMILES

CCOC(c(cc1-c2cc3ccccc3cc2)nn1-c(cc1)ccc1C(NC(C)CCc1ccccc1)=O)=O

InChI

InChI=1S/C33H31N3O3/c1-3-39-33(38)30-22-31(28-16-15-25-11-7-8-12-27(25)21-28)36(35-30)29-19-17-26(18-20-29)32(37)34-23(2)13-14-24-9-5-4-6-10-24/h4-12,15-23H,3,13-14H2,1-2H3,(H,34,37)/t23-/m0/s1

InChI Key

GYVYQDKDVQLIKG-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19952986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.721

Distribution Coefficient, logD

6.721

Water Solubility, LogSw

-6.44

Polar Surface Area

57.398

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

V007-9840 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

MCL1 Targeted Library (12200 compounds)

Akt-Targeted Library (14764 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V007-9840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-9840?
Check Price and Availability of V007-9840, 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 V007-9840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-9840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-9840
  • 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 V007-9840 available by request