E005-0558 Screening compound: 2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}-N-[3-(propylsulfanyl)propyl]propanamide

E005-0558 Screening compound: 2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}-N-[3-(propylsulfanyl)propyl]propanamide
E005-0558 Screening compound: 2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}-N-[3-(propylsulfanyl)propyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E005-0558
2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}-N-[3-(propylsulfanyl)propyl]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

E005-0558

Molecular Formula

C20H26N4O2S (C20 H26 N4 O2 S)

Compound Name

2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}-N-[3-(propylsulfanyl)propyl]propanamide

IUPAC name

2-{4-methyl-2-oxo-2H6H-pyrimido[12-b]indazol-6-yl}-N-[3-(propylsulfanyl)propyl]propanamide

SMILES

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

InChI

InChI=1S/C20H26N4O2S/c1-4-11-27-12-7-10-21-20(26)15(3)24-17-9-6-5-8-16(17)19-22-18(25)13-14(2)23(19)24/h5-6,8-9,13,15H,4,7,10-12H2,1-3H3,(H,21,26)/t15-/m0/s1

InChI Key

WCPRYJDSPRNOMK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14836466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.157

Distribution Coefficient, logD

2.157

Water Solubility, LogSw

-2.86

Polar Surface Area

52.550

Acid Dissociation Constant (pKa)

15.75

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with E005-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E005-0558?
Check Price and Availability of E005-0558, 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 E005-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E005-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E005-0558
  • 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 E005-0558 available by request