C764-0191 Screening compound: N~1~-(4-methoxyphenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

C764-0191 Screening compound: N~1~-(4-methoxyphenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
C764-0191 Screening compound: N~1~-(4-methoxyphenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C764-0191
N~1~-(4-methoxyphenyl)-2-{[3-(4-methylphenyl)-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

C764-0191

Molecular Formula

C26H21N3O4S (C26 H21 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1N(C1=O)C(SCC(Nc(cc2)ccc2OC)=O)=Nc2c1oc1c2cccc1

InChI

InChI=1S/C26H21N3O4S/c1-16-7-11-18(12-8-16)29-25(31)24-23(20-5-3-4-6-21(20)33-24)28-26(29)34-15-22(30)27-17-9-13-19(32-2)14-10-17/h3-14H,15H2,1-2H3,(H,27,30)

InChI Key

JQFPFUWDCWPIRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.168

Distribution Coefficient, logD

5.168

Water Solubility, LogSw

-5.15

Polar Surface Area

61.748

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with C764-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C764-0191?
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What is the minimum amount of C764-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C764-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C764-0191
  • 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 C764-0191 available by request