C253-0072 Screening compound: 4-{[(E)-3-phenyl-2-propenyl]sulfanyl}[1]benzofuro[3,2-d]pyrimidine

C253-0072 Screening compound: 4-{[(E)-3-phenyl-2-propenyl]sulfanyl}[1]benzofuro[3,2-d]pyrimidine
C253-0072 Screening compound: 4-{[(E)-3-phenyl-2-propenyl]sulfanyl}[1]benzofuro[3,2-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C253-0072
4-{[(E)-3-phenyl-2-propenyl]sulfanyl}[1]benzofuro[3,2-d]pyrimidine

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

C253-0072

Molecular Formula

C19H14N2OS (C19 H14 N2 OS)

Compound Name

4-{[(E)-3-phenyl-2-propenyl]sulfanyl}[1]benzofuro[3,2-d]pyrimidine

IUPAC name

6-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaene

SMILES

C(/C=C/c1ccccc1)Sc1ncnc2c1oc1c2cccc1

InChI

InChI=1S/C19H14N2OS/c1-2-7-14(8-3-1)9-6-12-23-19-18-17(20-13-21-19)15-10-4-5-11-16(15)22-18/h1-11,13H,12H2

InChI Key

LYXORDOWXZFYNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04461024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.236

Distribution Coefficient, logD

5.236

Water Solubility, LogSw

-5.72

Polar Surface Area

28.813

Acid Dissociation Constant (pKa)

26.82

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.26

C253-0072 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 C253-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C253-0072?
Check Price and Availability of C253-0072, 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 C253-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C253-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C253-0072
  • 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 C253-0072 available by request