C200-2953 Screening compound: N~1~-(2-ethoxyphenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

C200-2953 Screening compound: N~1~-(2-ethoxyphenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
C200-2953 Screening compound: N~1~-(2-ethoxyphenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2953
N~1~-(2-ethoxyphenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

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

C200-2953

Molecular Formula

C28H25N3O5S (C28 H25 N3 O5 S)

Compound Name

N~1~-(2-ethoxyphenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-(2-ethoxyphenyl)-2-{[5-(4-ethoxyphenyl)-6-oxo-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-4-yl]sulfanyl}acetamide

SMILES

CCOc(cc1)ccc1N(C1=O)C(SCC(Nc(cccc2)c2OCC)=O)=Nc2c1oc1c2cccc1

InChI

InChI=1S/C28H25N3O5S/c1-3-34-19-15-13-18(14-16-19)31-27(33)26-25(20-9-5-7-11-22(20)36-26)30-28(31)37-17-24(32)29-21-10-6-8-12-23(21)35-4-2/h5-16H,3-4,17H2,1-2H3,(H,29,32)

InChI Key

HVULFTHYYYTAJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.306

Distribution Coefficient, logD

5.306

Water Solubility, LogSw

-5.47

Polar Surface Area

67.840

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with C200-2953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2953?
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What is the minimum amount of C200-2953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2953
  • 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 C200-2953 available by request