3909-9424 Screening compound: N~1~-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide

3909-9424 Screening compound: N~1~-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
3909-9424 Screening compound: N~1~-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3909-9424
N~1~-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]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

3909-9424

Molecular Formula

C22H24N4O4S (C22 H24 N4 O4 S)

Compound Name

N~1~-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide

IUPAC name

N-{[(2-methoxy-5-methylphenyl)carbamoyl]methyl}-2-{3-oxo-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-4-yl}acetamide

SMILES

Cc(cc1)cc(NC(CNC(CN(C=Nc2c3c(CCCC4)c4s2)C3=O)=O)=O)c1OC

InChI

InChI=1S/C22H24N4O4S/c1-13-7-8-16(30-2)15(9-13)25-18(27)10-23-19(28)11-26-12-24-21-20(22(26)29)14-5-3-4-6-17(14)31-21/h7-9,12H,3-6,10-11H2,1-2H3,(H,23,28)(H,25,27)

InChI Key

OHZVTTYGHUCFJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.447

Distribution Coefficient, logD

2.447

Water Solubility, LogSw

-2.97

Polar Surface Area

80.715

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 3909-9424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3909-9424?
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What is the minimum amount of 3909-9424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3909-9424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3909-9424
  • 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 3909-9424 available by request