3909-9071 Screening compound: 1-[6-(4-benzylpiperidine-1-carbonyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl]-4-(pyridin-2-yl)piperazine

3909-9071 Screening compound: 1-[6-(4-benzylpiperidine-1-carbonyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl]-4-(pyridin-2-yl)piperazine
3909-9071 Screening compound: 1-[6-(4-benzylpiperidine-1-carbonyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl]-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3909-9071
1-[6-(4-benzylpiperidine-1-carbonyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl]-4-(pyridin-2-yl)piperazine

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

3909-9071

Molecular Formula

C30H34N6OS (C30 H34 N6 OS)

Compound Name

1-[6-(4-benzylpiperidine-1-carbonyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl]-4-(pyridin-2-yl)piperazine

IUPAC name

1-[6-(4-benzylpiperidine-1-carbonyl)-25-dimethylthieno[23-d]pyrimidin-4-yl]-4-(pyridin-2-yl)piperazine

SMILES

Cc1c(C(N2CCC(Cc3ccccc3)CC2)=O)sc2nc(C)nc(N(CC3)CCN3c3ncccc3)c12

InChI

InChI=1S/C30H34N6OS/c1-21-26-28(35-18-16-34(17-19-35)25-10-6-7-13-31-25)32-22(2)33-29(26)38-27(21)30(37)36-14-11-24(12-15-36)20-23-8-4-3-5-9-23/h3-10,13,24H,11-12,14-20H2,1-2H3

InChI Key

QHILFRIMHSQKSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.71

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.481

Distribution Coefficient, logD

5.465

Water Solubility, LogSw

-6.02

Polar Surface Area

51.061

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

8.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

3909-9071 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3909-9071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3909-9071?
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What is the minimum amount of 3909-9071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3909-9071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3909-9071
  • 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 3909-9071 available by request