C688-0018 Screening compound: 2-[2,4-dioxo-3-(2-pyridylmethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(2-methoxyphenyl)acetamide

C688-0018 Screening compound: 2-[2,4-dioxo-3-(2-pyridylmethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(2-methoxyphenyl)acetamide
C688-0018 Screening compound: 2-[2,4-dioxo-3-(2-pyridylmethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(2-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-0018
2-[2,4-dioxo-3-(2-pyridylmethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(2-methoxyphenyl)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

C688-0018

Molecular Formula

C25H20N4O4S (C25 H20 N4 O4 S)

Compound Name

2-[2,4-dioxo-3-(2-pyridylmethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(2-methoxyphenyl)acetamide

IUPAC name

2-{46-dioxo-5-[(pyridin-2-yl)methyl]-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraen-3-yl}-N-(2-methoxyphenyl)acetamide

SMILES

COc(cccc1)c1NC(CN(c1c(C(N2Cc3ncccc3)=O)sc3c1cccc3)C2=O)=O

InChI

InChI=1S/C25H20N4O4S/c1-33-19-11-4-3-10-18(19)27-21(30)15-28-22-17-9-2-5-12-20(17)34-23(22)24(31)29(25(28)32)14-16-8-6-7-13-26-16/h2-13H,14-15H2,1H3,(H,27,30)

InChI Key

GMFDDASLLJLWKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05718127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.672

Distribution Coefficient, logD

3.672

Water Solubility, LogSw

-4.04

Polar Surface Area

72.796

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with C688-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-0018?
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What is the minimum amount of C688-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-0018
  • 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 C688-0018 available by request