3909-9519 Screening compound: N~1~-{2-[4-(4-fluorophenyl)piperazino]-2-oxoethyl}-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide

3909-9519 Screening compound: N~1~-{2-[4-(4-fluorophenyl)piperazino]-2-oxoethyl}-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
3909-9519 Screening compound: N~1~-{2-[4-(4-fluorophenyl)piperazino]-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 3909-9519
N~1~-{2-[4-(4-fluorophenyl)piperazino]-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

3909-9519

Molecular Formula

C24H26FN5O3S (C24 H26 FN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C=Nc1c2c(CCCC3)c3s1)C2=O)NCC(N(CC1)CCN1c(cc1)ccc1F)=O

InChI

InChI=1S/C24H26FN5O3S/c25-16-5-7-17(8-6-16)28-9-11-29(12-10-28)21(32)13-26-20(31)14-30-15-27-23-22(24(30)33)18-3-1-2-4-19(18)34-23/h5-8,15H,1-4,9-14H2,(H,26,31)

InChI Key

CLMQMLHNHKURMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05030947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.376

Distribution Coefficient, logD

2.376

Water Solubility, LogSw

-2.80

Polar Surface Area

70.286

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

3909-9519 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3909-9519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3909-9519?
Check Price and Availability of 3909-9519, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3909-9519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3909-9519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3909-9519
  • 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 3909-9519 available by request