C200-2678 Screening compound: 3-(4-methylbenzyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one

C200-2678 Screening compound: 3-(4-methylbenzyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one
C200-2678 Screening compound: 3-(4-methylbenzyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2678
3-(4-methylbenzyl)-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

C200-2678

Molecular Formula

C18H14N2O2S (C18 H14 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CN(C(c(oc2c3cccc2)c3N2)=O)C2=S)cc1

InChI

InChI=1S/C18H14N2O2S/c1-11-6-8-12(9-7-11)10-20-17(21)16-15(19-18(20)23)13-4-2-3-5-14(13)22-16/h2-9H,10H2,1H3,(H,19,23)

InChI Key

CNJRVBOBOVRPCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.127

Distribution Coefficient, logD

4.126

Water Solubility, LogSw

-4.15

Polar Surface Area

33.213

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

-8.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C200-2678 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C200-2678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2678?
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What is the minimum amount of C200-2678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2678
  • 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 C200-2678 available by request