V026-9980 Screening compound: (2E)-N-butyl-N-({[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]carbamoyl}methyl)-3-(4-nitrophenyl)prop-2-enamide

V026-9980 Screening compound: (2E)-N-butyl-N-({[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]carbamoyl}methyl)-3-(4-nitrophenyl)prop-2-enamide
V026-9980 Screening compound: (2E)-N-butyl-N-({[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]carbamoyl}methyl)-3-(4-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-9980
(2E)-N-butyl-N-({[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]carbamoyl}methyl)-3-(4-nitrophenyl)prop-2-enamide

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

V026-9980

Molecular Formula

C30H28FN5O4 (C30 H28 FN5 O4)

Compound Name

(2E)-N-butyl-N-({[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]carbamoyl}methyl)-3-(4-nitrophenyl)prop-2-enamide

IUPAC name

(2E)-N-butyl-N-({[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]carbamoyl}methyl)-3-(4-nitrophenyl)prop-2-enamide

SMILES

CCCCN(CC(Nc1cc(-c2ccccc2)nn1-c(cc1)ccc1F)=O)C(/C=C/c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C30H28FN5O4/c1-2-3-19-34(30(38)18-11-22-9-14-26(15-10-22)36(39)40)21-29(37)32-28-20-27(23-7-5-4-6-8-23)33-35(28)25-16-12-24(31)13-17-25/h4-18,20H,2-3,19,21H2,1H3,(H,32,37)

InChI Key

XHLDPAKPLYCTLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19715921

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

541.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.467

Distribution Coefficient, logD

6.467

Water Solubility, LogSw

-5.57

Polar Surface Area

86.595

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V026-9980 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 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 V026-9980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-9980?
Check Price and Availability of V026-9980, 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 V026-9980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-9980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-9980
  • 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 V026-9980 available by request