E005-0139 Screening compound: 2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}-N-[(oxolan-2-yl)methyl]acetamide

E005-0139 Screening compound: 2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}-N-[(oxolan-2-yl)methyl]acetamide
E005-0139 Screening compound: 2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E005-0139
2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}-N-[(oxolan-2-yl)methyl]acetamide

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

E005-0139

Molecular Formula

C18H20N4O3 (C18 H20 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(N1N(CC(NCC2OCCC2)=O)c(cccc2)c2C1=N1)=CC1=O

InChI

InChI=1S/C18H20N4O3/c1-12-9-16(23)20-18-14-6-2-3-7-15(14)21(22(12)18)11-17(24)19-10-13-5-4-8-25-13/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3,(H,19,24)/t13-/m1/s1

InChI Key

GGWUYNVPRYLWJQ-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD14836313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.263

Distribution Coefficient, logD

0.263

Water Solubility, LogSw

-2.35

Polar Surface Area

59.764

Acid Dissociation Constant (pKa)

14.68

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

E005-0139 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

DGK Inhibitors Library (10558 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E005-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E005-0139?
Check Price and Availability of E005-0139, 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 E005-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E005-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E005-0139
  • 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 E005-0139 available by request