E005-0035 Screening compound: 4-methyl-6-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2H,6H-pyrimido[1,2-b]indazol-2-one

E005-0035 Screening compound: 4-methyl-6-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2H,6H-pyrimido[1,2-b]indazol-2-one
E005-0035 Screening compound: 4-methyl-6-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2H,6H-pyrimido[1,2-b]indazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E005-0035
4-methyl-6-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2H,6H-pyrimido[1,2-b]indazol-2-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

E005-0035

Molecular Formula

C24H22F3N5O2 (C24 H22 F3 N5 O2)

Compound Name

4-methyl-6-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2H,6H-pyrimido[1,2-b]indazol-2-one

IUPAC name

4-methyl-6-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2H6H-pyrimido[12-b]indazol-2-one

SMILES

CC(N1N(CC(N(CC2)CCN2c2cccc(C(F)(F)F)c2)=O)c(cccc2)c2C1=N1)=CC1=O

InChI

InChI=1S/C24H22F3N5O2/c1-16-13-21(33)28-23-19-7-2-3-8-20(19)31(32(16)23)15-22(34)30-11-9-29(10-12-30)18-6-4-5-17(14-18)24(25,26)27/h2-8,13-14H,9-12,15H2,1H3

InChI Key

FVDQFBGREDUSLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14836276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.616

Distribution Coefficient, logD

2.616

Water Solubility, LogSw

-3.39

Polar Surface Area

46.291

Acid Dissociation Constant (pKa)

18.16

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

E005-0035 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E005-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E005-0035?
Check Price and Availability of E005-0035, 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 E005-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E005-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E005-0035
  • 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 E005-0035 available by request