C764-0435 Screening compound: N~1~-(3,5-dimethylphenyl)-2-{[3-(2-methoxybenzyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

C764-0435 Screening compound: N~1~-(3,5-dimethylphenyl)-2-{[3-(2-methoxybenzyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
C764-0435 Screening compound: N~1~-(3,5-dimethylphenyl)-2-{[3-(2-methoxybenzyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C764-0435
N~1~-(3,5-dimethylphenyl)-2-{[3-(2-methoxybenzyl)-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

C764-0435

Molecular Formula

C28H25N3O4S (C28 H25 N3 O4 S)

Compound Name

N~1~-(3,5-dimethylphenyl)-2-{[3-(2-methoxybenzyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

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

SMILES

Cc1cc(NC(CSC(N(Cc(cccc2)c2OC)C2=O)=Nc3c2oc2c3cccc2)=O)cc(C)c1

InChI

InChI=1S/C28H25N3O4S/c1-17-12-18(2)14-20(13-17)29-24(32)16-36-28-30-25-21-9-5-7-11-23(21)35-26(25)27(33)31(28)15-19-8-4-6-10-22(19)34-3/h4-14H,15-16H2,1-3H3,(H,29,32)

InChI Key

BJFGNGRQENVRKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11834609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.883

Distribution Coefficient, logD

5.883

Water Solubility, LogSw

-5.62

Polar Surface Area

62.446

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with C764-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C764-0435?
Check Price and Availability of C764-0435, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C764-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C764-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C764-0435
  • 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 C764-0435 available by request