E005-0421 Screening compound: 2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}-N-(2-methylphenyl)propanamide

E005-0421 Screening compound: 2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}-N-(2-methylphenyl)propanamide
E005-0421 Screening compound: 2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}-N-(2-methylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E005-0421
2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}-N-(2-methylphenyl)propanamide

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

E005-0421

Molecular Formula

C21H20N4O2 (C21 H20 N4 O2)

Compound Name

2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}-N-(2-methylphenyl)propanamide

IUPAC name

2-{4-methyl-2-oxo-2H6H-pyrimido[12-b]indazol-6-yl}-N-(2-methylphenyl)propanamide

SMILES

CC(C(Nc1c(C)cccc1)=O)N(c(cccc1)c1C1=N2)N1C(C)=CC2=O

InChI

InChI=1S/C21H20N4O2/c1-13-8-4-6-10-17(13)22-21(27)15(3)25-18-11-7-5-9-16(18)20-23-19(26)12-14(2)24(20)25/h4-12,15H,1-3H3,(H,22,27)/t15-/m0/s1

InChI Key

KRUNRZVTLKWLBB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14836417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.573

Distribution Coefficient, logD

2.573

Water Solubility, LogSw

-3.18

Polar Surface Area

50.417

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

E005-0421 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with E005-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E005-0421?
Check Price and Availability of E005-0421, 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 E005-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E005-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E005-0421
  • 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 E005-0421 available by request