C200-3807 Screening compound: 3-[2-(1-cyclohexenyl)ethyl]-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one

C200-3807 Screening compound: 3-[2-(1-cyclohexenyl)ethyl]-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one
C200-3807 Screening compound: 3-[2-(1-cyclohexenyl)ethyl]-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3807
3-[2-(1-cyclohexenyl)ethyl]-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one

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

C200-3807

Molecular Formula

C18H18N2O2S (C18 H18 N2 O2 S)

Compound Name

3-[2-(1-cyclohexenyl)ethyl]-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one

IUPAC name

5-[2-(cyclohex-1-en-1-yl)ethyl]-4-sulfanylidene-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraen-6-one

SMILES

O=C(c(oc1c2cccc1)c2N1)N(CCC2=CCCCC2)C1=S

InChI

InChI=1S/C18H18N2O2S/c21-17-16-15(13-8-4-5-9-14(13)22-16)19-18(23)20(17)11-10-12-6-2-1-3-7-12/h4-6,8-9H,1-3,7,10-11H2,(H,19,23)

InChI Key

HYUSZEDHWIISIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.059

Distribution Coefficient, logD

4.054

Water Solubility, LogSw

-4.13

Polar Surface Area

33.384

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-7.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C200-3807 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C200-3807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3807?
Check Price and Availability of C200-3807, 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 C200-3807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3807
  • 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 C200-3807 available by request