3909-7725 Screening compound: 2-[2-benzyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]-N~1~-(2,4-difluorophenyl)acetamide

3909-7725 Screening compound: 2-[2-benzyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]-N~1~-(2,4-difluorophenyl)acetamide
3909-7725 Screening compound: 2-[2-benzyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]-N~1~-(2,4-difluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3909-7725
2-[2-benzyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]-N~1~-(2,4-difluorophenyl)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

3909-7725

Molecular Formula

C25H21F2N3O2S (C25 H21 F2 N3 O2 S)

Compound Name

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

IUPAC name

2-{5-benzyl-3-oxo-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-4-yl}-N-(24-difluorophenyl)acetamide

SMILES

O=C(CN(C(Cc1ccccc1)=Nc1c2c(CCCC3)c3s1)C2=O)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C25H21F2N3O2S/c26-16-10-11-19(18(27)13-16)28-22(31)14-30-21(12-15-6-2-1-3-7-15)29-24-23(25(30)32)17-8-4-5-9-20(17)33-24/h1-3,6-7,10-11,13H,4-5,8-9,12,14H2,(H,28,31)

InChI Key

ZFIWCXPOMHMGBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14708875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.776

Distribution Coefficient, logD

4.767

Water Solubility, LogSw

-4.85

Polar Surface Area

47.480

Acid Dissociation Constant (pKa)

9.08

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with 3909-7725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3909-7725?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3909-7725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3909-7725
  • 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 3909-7725 available by request