V004-3578 Screening compound: ethyl 1-(4-fluorophenyl)-5-[3-(3-methyl-1-benzofuran-2-amido)phenyl]-1H-pyrazole-3-carboxylate

V004-3578 Screening compound: ethyl 1-(4-fluorophenyl)-5-[3-(3-methyl-1-benzofuran-2-amido)phenyl]-1H-pyrazole-3-carboxylate
V004-3578 Screening compound: ethyl 1-(4-fluorophenyl)-5-[3-(3-methyl-1-benzofuran-2-amido)phenyl]-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3578
ethyl 1-(4-fluorophenyl)-5-[3-(3-methyl-1-benzofuran-2-amido)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

V004-3578

Molecular Formula

C28H22FN3O4 (C28 H22 FN3 O4)

Compound Name

ethyl 1-(4-fluorophenyl)-5-[3-(3-methyl-1-benzofuran-2-amido)phenyl]-1H-pyrazole-3-carboxylate

IUPAC name

ethyl 1-(4-fluorophenyl)-5-[3-(3-methyl-1-benzofuran-2-amido)phenyl]-1H-pyrazole-3-carboxylate

SMILES

CCOC(c(cc1-c2cc(NC(c3c(C)c(cccc4)c4o3)=O)ccc2)nn1-c(cc1)ccc1F)=O

InChI

InChI=1S/C28H22FN3O4/c1-3-35-28(34)23-16-24(32(31-23)21-13-11-19(29)12-14-21)18-7-6-8-20(15-18)30-27(33)26-17(2)22-9-4-5-10-25(22)36-26/h4-16H,3H2,1-2H3,(H,30,33)

InChI Key

KHXGKMYYILDHLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19956693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.585

Distribution Coefficient, logD

6.585

Water Solubility, LogSw

-5.90

Polar Surface Area

65.432

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

V004-3578 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V004-3578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3578?
Check Price and Availability of V004-3578, 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 V004-3578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3578
  • 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 V004-3578 available by request