C764-0498 Screening compound: N~1~-(3,4-dimethoxyphenyl)-2-{[3-(2-methoxyethyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

C764-0498 Screening compound: N~1~-(3,4-dimethoxyphenyl)-2-{[3-(2-methoxyethyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
C764-0498 Screening compound: N~1~-(3,4-dimethoxyphenyl)-2-{[3-(2-methoxyethyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C764-0498
N~1~-(3,4-dimethoxyphenyl)-2-{[3-(2-methoxyethyl)-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

C764-0498

Molecular Formula

C23H23N3O6S (C23 H23 N3 O6 S)

Compound Name

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

IUPAC name

N-(34-dimethoxyphenyl)-2-{[5-(2-methoxyethyl)-6-oxo-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-4-yl]sulfanyl}acetamide

SMILES

COCCN(C1=O)C(SCC(Nc(cc2)cc(OC)c2OC)=O)=Nc2c1oc1c2cccc1

InChI

InChI=1S/C23H23N3O6S/c1-29-11-10-26-22(28)21-20(15-6-4-5-7-16(15)32-21)25-23(26)33-13-19(27)24-14-8-9-17(30-2)18(12-14)31-3/h4-9,12H,10-11,13H2,1-3H3,(H,24,27)

InChI Key

GGRBUOUKCGTEQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.52

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

2.992

Distribution Coefficient, logD

2.992

Water Solubility, LogSw

-3.46

Polar Surface Area

78.669

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with C764-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C764-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C764-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C764-0498
  • 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 C764-0498 available by request