V028-1401 Screening compound: 3-(3-ethyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-(3-methyl-1H-indol-2-yl)-1-propyl-2,5-dihydro-1H-pyrrole-2,5-dione

V028-1401 Screening compound: 3-(3-ethyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-(3-methyl-1H-indol-2-yl)-1-propyl-2,5-dihydro-1H-pyrrole-2,5-dione
V028-1401 Screening compound: 3-(3-ethyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-(3-methyl-1H-indol-2-yl)-1-propyl-2,5-dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-1401
3-(3-ethyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-(3-methyl-1H-indol-2-yl)-1-propyl-2,5-dihydro-1H-pyrrole-2,5-dione

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

V028-1401

Molecular Formula

C27H26N4O3 (C27 H26 N4 O3)

Compound Name

3-(3-ethyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-(3-methyl-1H-indol-2-yl)-1-propyl-2,5-dihydro-1H-pyrrole-2,5-dione

IUPAC name

3-(3-ethyl-5-oxo-1-phenyl-45-dihydro-1H-pyrazol-4-yl)-4-(3-methyl-1H-indol-2-yl)-1-propyl-25-dihydro-1H-pyrrole-25-dione

SMILES

CCCN(C(C(C(C(CC)=NN1c2ccccc2)C1=O)=C1c2c(C)c(cccc3)c3[nH]2)=O)C1=O

InChI

InChI=1S/C27H26N4O3/c1-4-15-30-25(32)22(21-19(5-2)29-31(27(21)34)17-11-7-6-8-12-17)23(26(30)33)24-16(3)18-13-9-10-14-20(18)28-24/h6-14,21,28H,4-5,15H2,1-3H3/t21-/m0/s1

InChI Key

APDKLPXWALWUAV-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19972403

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.995

Distribution Coefficient, logD

3.995

Water Solubility, LogSw

-4.05

Polar Surface Area

65.940

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

V028-1401 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V028-1401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-1401?
Check Price and Availability of V028-1401, 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 V028-1401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-1401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-1401
  • 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 V028-1401 available by request