E990-0426 Screening compound: N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-3-carboxamide

E990-0426 Screening compound: N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-3-carboxamide
E990-0426 Screening compound: N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E990-0426
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-3-carboxamide

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

E990-0426

Molecular Formula

C21H21N5O5 (C21 H21 N5 O5)

Compound Name

N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-3-carboxamide

IUPAC name

N-(6-acetyl-2H-13-benzodioxol-5-yl)-1-{3-methyl-[12]oxazolo[54-d]pyrimidin-4-yl}piperidine-3-carboxamide

SMILES

CC(c(cc1OCOc1c1)c1NC(C(CCC1)CN1c1ncnc2c1c(C)no2)=O)=O

InChI

InChI=1S/C21H21N5O5/c1-11-18-19(22-9-23-21(18)31-25-11)26-5-3-4-13(8-26)20(28)24-15-7-17-16(29-10-30-17)6-14(15)12(2)27/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,24,28)/t13-/m0/s1

InChI Key

YIQCJGCFVOGOEJ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14936676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.112

Distribution Coefficient, logD

1.812

Water Solubility, LogSw

-2.91

Polar Surface Area

98.882

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

E990-0426 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E990-0426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E990-0426?
Check Price and Availability of E990-0426, 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 E990-0426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E990-0426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E990-0426
  • 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 E990-0426 available by request