S896-0138 Screening compound: N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-methyl-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-amine

S896-0138 Screening compound: N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-methyl-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-amine
S896-0138 Screening compound: N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-methyl-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S896-0138
N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-methyl-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-amine

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

S896-0138

Molecular Formula

C19H25N3O3 (C19 H25 N3 O3)

Compound Name

N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-methyl-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-amine

IUPAC name

N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-methyl-5H6H8H9H-oxepino[45-d]pyrimidin-4-amine

SMILES

CN(CCOC)c1nc(-c(cc2)ccc2OC)nc2c1CCOCC2

InChI

InChI=1S/C19H25N3O3/c1-22(10-13-23-2)19-16-8-11-25-12-9-17(16)20-18(21-19)14-4-6-15(24-3)7-5-14/h4-7H,8-13H2,1-3H3

InChI Key

KTLDZGHDXPSFEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31956719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.535

Distribution Coefficient, logD

3.473

Water Solubility, LogSw

-3.55

Polar Surface Area

47.223

Acid Dissociation Constant (pKa)

19.80

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.37

S896-0138 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S896-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S896-0138?
Check Price and Availability of S896-0138, 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 S896-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S896-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S896-0138
  • 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 S896-0138 available by request