L115-0380 Screening compound: 2-[7-(3,4-diethoxyphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]acetonitrile

L115-0380 Screening compound: 2-[7-(3,4-diethoxyphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]acetonitrile
L115-0380 Screening compound: 2-[7-(3,4-diethoxyphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound L115-0380
2-[7-(3,4-diethoxyphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]acetonitrile

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

L115-0380

Molecular Formula

C18H17N3O3S (C18 H17 N3 O3 S)

Compound Name

2-[7-(3,4-diethoxyphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]acetonitrile

IUPAC name

2-[7-(34-diethoxyphenyl)-4-oxo-3H4H-thieno[32-d]pyrimidin-3-yl]acetonitrile

SMILES

CCOc(ccc(-c1csc2c1N=CN(CC#N)C2=O)c1)c1OCC

InChI

InChI=1S/C18H17N3O3S/c1-3-23-14-6-5-12(9-15(14)24-4-2)13-10-25-17-16(13)20-11-21(8-7-19)18(17)22/h5-6,9-11H,3-4,8H2,1-2H3

InChI Key

MTIWYXRTUZBHIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16639542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.248

Distribution Coefficient, logD

2.248

Water Solubility, LogSw

-2.98

Polar Surface Area

56.996

Acid Dissociation Constant (pKa)

27.65

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with L115-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L115-0380?
Check Price and Availability of L115-0380, 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 L115-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L115-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L115-0380
  • 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 L115-0380 available by request