3909-8645 Screening compound: N,N-diethyl-2-{6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

3909-8645 Screening compound: N,N-diethyl-2-{6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide
3909-8645 Screening compound: N,N-diethyl-2-{6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3909-8645
N,N-diethyl-2-{6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-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

3909-8645

Molecular Formula

C24H28FN5O3S (C24 H28 FN5 O3 S)

Compound Name

N,N-diethyl-2-{6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

IUPAC name

NN-diethyl-2-{6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}acetamide

SMILES

CCN(CC)C(CN(C=Nc1c2c(C)c(C(N(CC3)CCN3c(cc3)ccc3F)=O)s1)C2=O)=O

InChI

InChI=1S/C24H28FN5O3S/c1-4-27(5-2)19(31)14-30-15-26-22-20(23(30)32)16(3)21(34-22)24(33)29-12-10-28(11-13-29)18-8-6-17(25)7-9-18/h6-9,15H,4-5,10-14H2,1-3H3

InChI Key

VUJYKPPPJUMUHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.203

Distribution Coefficient, logD

2.203

Water Solubility, LogSw

-2.50

Polar Surface Area

61.826

Acid Dissociation Constant (pKa)

26.18

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

3909-8645 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Nucleic Acid Ligands (8311 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with 3909-8645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3909-8645?
Check Price and Availability of 3909-8645, 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 3909-8645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3909-8645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3909-8645
  • 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 3909-8645 available by request