C200-2956 Screening compound: N~1~-(3,4-dimethoxyphenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

C200-2956 Screening compound: N~1~-(3,4-dimethoxyphenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
C200-2956 Screening compound: N~1~-(3,4-dimethoxyphenyl)-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 C200-2956
N~1~-(3,4-dimethoxyphenyl)-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

C200-2956

Molecular Formula

C28H25N3O6S (C28 H25 N3 O6 S)

Compound Name

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

IUPAC name

N-(34-dimethoxyphenyl)-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(cc2)cc(OC)c2OC)=O)=Nc2c1oc1c2cccc1

InChI

InChI=1S/C28H25N3O6S/c1-4-36-19-12-10-18(11-13-19)31-27(33)26-25(20-7-5-6-8-21(20)37-26)30-28(31)38-16-24(32)29-17-9-14-22(34-2)23(15-17)35-3/h5-15H,4,16H2,1-3H3,(H,29,32)

InChI Key

SOTSLXQRMPSMDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.666

Distribution Coefficient, logD

4.666

Water Solubility, LogSw

-4.44

Polar Surface Area

76.589

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with C200-2956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2956?
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What is the minimum amount of C200-2956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2956
  • 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 C200-2956 available by request