D009-0272 Screening compound: N-[(1Z)-1-(1-ethyl-1H-indol-3-yl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide

D009-0272 Screening compound: N-[(1Z)-1-(1-ethyl-1H-indol-3-yl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
D009-0272 Screening compound: N-[(1Z)-1-(1-ethyl-1H-indol-3-yl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0272
N-[(1Z)-1-(1-ethyl-1H-indol-3-yl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide

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

D009-0272

Molecular Formula

C25H27FN4O2 (C25 H27 FN4 O2)

Compound Name

N-[(1Z)-1-(1-ethyl-1H-indol-3-yl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide

IUPAC name

N-[(1Z)-1-(1-ethyl-1H-indol-3-yl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide

SMILES

CCn1c(cccc2)c2c(/C=C(/C(N2CCN(C)CC2)=O)\NC(c(cccc2)c2F)=O)c1

InChI

InChI=1S/C25H27FN4O2/c1-3-29-17-18(19-8-5-7-11-23(19)29)16-22(25(32)30-14-12-28(2)13-15-30)27-24(31)20-9-4-6-10-21(20)26/h4-11,16-17H,3,12-15H2,1-2H3,(H,27,31)

InChI Key

NZLAGNRDJKKLDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.842

Distribution Coefficient, logD

1.180

Water Solubility, LogSw

-3.46

Polar Surface Area

44.016

Acid Dissociation Constant (pKa)

5.75

Base Dissociation Constant (pKb)

6.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

D009-0272 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with D009-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0272?
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What is the minimum amount of D009-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0272
  • 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 D009-0272 available by request