E990-0757 Screening compound: 1-{3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide

E990-0757 Screening compound: 1-{3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide
E990-0757 Screening compound: 1-{3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E990-0757
1-{3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-N-[(2-ethoxyphenyl)methyl]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

E990-0757

Molecular Formula

C22H27N5O3 (C22 H27 N5 O3)

Compound Name

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

IUPAC name

1-{36-dimethyl-[12]oxazolo[54-d]pyrimidin-4-yl}-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide

SMILES

CCOc1c(CNC(C(CCC2)CN2c2nc(C)nc3c2c(C)no3)=O)cccc1

InChI

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

InChI Key

MGZJWMCVEIFDAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14936775

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

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.908

Distribution Coefficient, logD

2.904

Water Solubility, LogSw

-3.26

Polar Surface Area

75.544

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

E990-0757 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 E990-0757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E990-0757?
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What is the minimum amount of E990-0757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E990-0757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E990-0757
  • 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 E990-0757 available by request