V003-4077 Screening compound: (2E)-1-{4-[5-(4-methoxyphenyl)-2-methyl-1-phenyl-1H-pyrrole-3-carbonyl]piperazin-1-yl}-3-phenylprop-2-en-1-one

V003-4077 Screening compound: (2E)-1-{4-[5-(4-methoxyphenyl)-2-methyl-1-phenyl-1H-pyrrole-3-carbonyl]piperazin-1-yl}-3-phenylprop-2-en-1-one
V003-4077 Screening compound: (2E)-1-{4-[5-(4-methoxyphenyl)-2-methyl-1-phenyl-1H-pyrrole-3-carbonyl]piperazin-1-yl}-3-phenylprop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4077
(2E)-1-{4-[5-(4-methoxyphenyl)-2-methyl-1-phenyl-1H-pyrrole-3-carbonyl]piperazin-1-yl}-3-phenylprop-2-en-1-one

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

V003-4077

Molecular Formula

C32H31N3O3 (C32 H31 N3 O3)

Compound Name

(2E)-1-{4-[5-(4-methoxyphenyl)-2-methyl-1-phenyl-1H-pyrrole-3-carbonyl]piperazin-1-yl}-3-phenylprop-2-en-1-one

IUPAC name

(2E)-1-{4-[5-(4-methoxyphenyl)-2-methyl-1-phenyl-1H-pyrrole-3-carbonyl]piperazin-1-yl}-3-phenylprop-2-en-1-one

SMILES

Cc(n(c(-c(cc1)ccc1OC)c1)-c2ccccc2)c1C(N(CC1)CCN1C(/C=C/c1ccccc1)=O)=O

InChI

InChI=1S/C32H31N3O3/c1-24-29(23-30(26-14-16-28(38-2)17-15-26)35(24)27-11-7-4-8-12-27)32(37)34-21-19-33(20-22-34)31(36)18-13-25-9-5-3-6-10-25/h3-18,23H,19-22H2,1-2H3

InChI Key

NHMUVTOZXLGWTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19778033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.322

Distribution Coefficient, logD

5.322

Water Solubility, LogSw

-5.45

Polar Surface Area

41.782

Acid Dissociation Constant (pKa)

29.05

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

V003-4077 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V003-4077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4077?
Check Price and Availability of V003-4077, 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 V003-4077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4077
  • 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 V003-4077 available by request