C200-8626 Screening compound: 2-[4-oxo-2-{[2-oxo-2-(4-toluidino)ethyl]sulfanyl}[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetic acid

C200-8626 Screening compound: 2-[4-oxo-2-{[2-oxo-2-(4-toluidino)ethyl]sulfanyl}[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetic acid
C200-8626 Screening compound: 2-[4-oxo-2-{[2-oxo-2-(4-toluidino)ethyl]sulfanyl}[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8626
2-[4-oxo-2-{[2-oxo-2-(4-toluidino)ethyl]sulfanyl}[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetic acid

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

C200-8626

Molecular Formula

C21H17N3O5S (C21 H17 N3 O5 S)

Compound Name

2-[4-oxo-2-{[2-oxo-2-(4-toluidino)ethyl]sulfanyl}[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetic acid

IUPAC name

2-[4-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-6-oxo-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-5-yl]acetic acid

SMILES

Cc(cc1)ccc1NC(CSC(N(CC(O)=O)C1=O)=Nc2c1oc1c2cccc1)=O

InChI

InChI=1S/C21H17N3O5S/c1-12-6-8-13(9-7-12)22-16(25)11-30-21-23-18-14-4-2-3-5-15(14)29-19(18)20(28)24(21)10-17(26)27/h2-9H,10-11H2,1H3,(H,22,25)(H,26,27)

InChI Key

XSDYDPWIRXGQKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.499

Distribution Coefficient, logD

-0.772

Water Solubility, LogSw

-2.68

Polar Surface Area

83.471

Acid Dissociation Constant (pKa)

4.13

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with C200-8626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8626?
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What is the minimum amount of C200-8626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8626
  • 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 C200-8626 available by request