E990-1108 Screening compound: N-[(2-ethoxyphenyl)methyl]-1-{3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-3-carboxamide

E990-1108 Screening compound: N-[(2-ethoxyphenyl)methyl]-1-{3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-3-carboxamide
E990-1108 Screening compound: N-[(2-ethoxyphenyl)methyl]-1-{3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E990-1108
N-[(2-ethoxyphenyl)methyl]-1-{3-ethyl-[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

E990-1108

Molecular Formula

C22H27N5O3 (C22 H27 N5 O3)

Compound Name

N-[(2-ethoxyphenyl)methyl]-1-{3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-3-carboxamide

IUPAC name

N-[(2-ethoxyphenyl)methyl]-1-{3-ethyl-[12]oxazolo[54-d]pyrimidin-4-yl}piperidine-3-carboxamide

SMILES

CCc1noc2c1c(N(CCC1)CC1C(NCc(cccc1)c1OCC)=O)ncn2

InChI

InChI=1S/C22H27N5O3/c1-3-17-19-20(24-14-25-22(19)30-26-17)27-11-7-9-16(13-27)21(28)23-12-15-8-5-6-10-18(15)29-4-2/h5-6,8,10,14,16H,3-4,7,9,11-13H2,1-2H3,(H,23,28)/t16-/m0/s1

InChI Key

AQDBBIXUMBMBAI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14936840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.170

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-3.39

Polar Surface Area

77.858

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

E990-1108 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E990-1108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E990-1108?
Check Price and Availability of E990-1108, 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 E990-1108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E990-1108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E990-1108
  • 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 E990-1108 available by request