3909-7526 Screening compound: N~1~-(4-ethylphenyl)-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide

3909-7526 Screening compound: N~1~-(4-ethylphenyl)-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
3909-7526 Screening compound: N~1~-(4-ethylphenyl)-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 3909-7526
N~1~-(4-ethylphenyl)-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

3909-7526

Molecular Formula

C20H21N3O2S (C20 H21 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1NC(CN(C=Nc1c2c(CCCC3)c3s1)C2=O)=O

InChI

InChI=1S/C20H21N3O2S/c1-2-13-7-9-14(10-8-13)22-17(24)11-23-12-21-19-18(20(23)25)15-5-3-4-6-16(15)26-19/h7-10,12H,2-6,11H2,1H3,(H,22,24)

InChI Key

MDIACNJEEJDHQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05801433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.023

Distribution Coefficient, logD

4.023

Water Solubility, LogSw

-4.13

Polar Surface Area

49.311

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 3909-7526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3909-7526?
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What is the minimum amount of 3909-7526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3909-7526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3909-7526
  • 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 3909-7526 available by request