C764-0603 Screening compound: ethyl 2-[(2-{[3-(2-furylmethyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate

C764-0603 Screening compound: ethyl 2-[(2-{[3-(2-furylmethyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate
C764-0603 Screening compound: ethyl 2-[(2-{[3-(2-furylmethyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C764-0603
ethyl 2-[(2-{[3-(2-furylmethyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate

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

C764-0603

Molecular Formula

C26H21N3O6S (C26 H21 N3 O6 S)

Compound Name

ethyl 2-[(2-{[3-(2-furylmethyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate

IUPAC name

ethyl 2-[2-({5-[(furan-2-yl)methyl]-6-oxo-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-4-yl}sulfanyl)acetamido]benzoate

SMILES

CCOC(c(cccc1)c1NC(CSC(N(Cc1ccco1)C1=O)=Nc2c1oc1c2cccc1)=O)=O

InChI

InChI=1S/C26H21N3O6S/c1-2-33-25(32)17-9-3-5-11-19(17)27-21(30)15-36-26-28-22-18-10-4-6-12-20(18)35-23(22)24(31)29(26)14-16-8-7-13-34-16/h3-13H,2,14-15H2,1H3,(H,27,30)

InChI Key

ODODJXIBUIDAGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08568876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.760

Distribution Coefficient, logD

4.752

Water Solubility, LogSw

-4.65

Polar Surface Area

82.620

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with C764-0603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C764-0603?
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What is the minimum amount of C764-0603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C764-0603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C764-0603
  • 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 C764-0603 available by request