L115-0650 Screening compound: 2-[7-(4-bromophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]acetonitrile

L115-0650 Screening compound: 2-[7-(4-bromophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]acetonitrile
L115-0650 Screening compound: 2-[7-(4-bromophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound L115-0650
2-[7-(4-bromophenyl)-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

L115-0650

Molecular Formula

C14H8BrN3OS (C14 H8 BrN3 OS)

Compound Name

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

IUPAC name

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

SMILES

N#CCN(C=Nc1c2scc1-c(cc1)ccc1Br)C2=O

InChI

InChI=1S/C14H8BrN3OS/c15-10-3-1-9(2-4-10)11-7-20-13-12(11)17-8-18(6-5-16)14(13)19/h1-4,7-8H,6H2

InChI Key

YJDQCMNSIKRLGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27233099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.21

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.028

Distribution Coefficient, logD

3.028

Water Solubility, LogSw

-3.46

Polar Surface Area

42.575

Acid Dissociation Constant (pKa)

27.65

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

L115-0650 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 L115-0650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L115-0650?
Check Price and Availability of L115-0650, 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 L115-0650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L115-0650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L115-0650
  • 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 L115-0650 available by request