8011-5270 Screening compound: 2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-(1-phenylethyl)acetamide

8011-5270 Screening compound: 2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-(1-phenylethyl)acetamide
8011-5270 Screening compound: 2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-(1-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5270
2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-(1-phenylethyl)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

8011-5270

Molecular Formula

C21H23N3O2S2 (C21 H23 N3 O2 S2)

Compound Name

2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-(1-phenylethyl)acetamide

IUPAC name

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

SMILES

CC(c1ccccc1)NC(CSC(N1C)=Nc(sc2c3CCCC2)c3C1=O)=O

InChI

InChI=1S/C21H23N3O2S2/c1-13(14-8-4-3-5-9-14)22-17(25)12-27-21-23-19-18(20(26)24(21)2)15-10-6-7-11-16(15)28-19/h3-5,8-9,13H,6-7,10-12H2,1-2H3,(H,22,25)/t13-/m0/s1

InChI Key

YDJUPSFRHSYOOK-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.554

Distribution Coefficient, logD

3.554

Water Solubility, LogSw

-4.02

Polar Surface Area

49.266

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 8011-5270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5270?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5270
  • 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 8011-5270 available by request