E005-0998 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{8,9-dimethoxy-4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}acetamide

E005-0998 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{8,9-dimethoxy-4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}acetamide
E005-0998 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{8,9-dimethoxy-4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E005-0998
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{8,9-dimethoxy-4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}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

E005-0998

Molecular Formula

C23H22N4O6 (C23 H22 N4 O6)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{8,9-dimethoxy-4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-{89-dimethoxy-4-methyl-2-oxo-2H6H-pyrimido[12-b]indazol-6-yl}acetamide

SMILES

CC(N1N(CC(NCc(cc2)cc3c2OCO3)=O)c(cc(c(OC)c2)OC)c2C1=N1)=CC1=O

InChI

InChI=1S/C23H22N4O6/c1-13-6-21(28)25-23-15-8-18(30-2)19(31-3)9-16(15)26(27(13)23)11-22(29)24-10-14-4-5-17-20(7-14)33-12-32-17/h4-9H,10-12H2,1-3H3,(H,24,29)

InChI Key

IIJVCEVCHKOEPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14836595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.725

Distribution Coefficient, logD

1.725

Water Solubility, LogSw

-2.71

Polar Surface Area

83.486

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E005-0998 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E005-0998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E005-0998?
Check Price and Availability of E005-0998, 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 E005-0998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E005-0998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E005-0998
  • 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 E005-0998 available by request