G786-0946 Screening compound: 4-{4-[(2-methyl-1-naphthyl)methyl]piperazino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

G786-0946 Screening compound: 4-{4-[(2-methyl-1-naphthyl)methyl]piperazino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
G786-0946 Screening compound: 4-{4-[(2-methyl-1-naphthyl)methyl]piperazino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0946
4-{4-[(2-methyl-1-naphthyl)methyl]piperazino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

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

G786-0946

Molecular Formula

C26H28N4S (C26 H28 N4 S)

Compound Name

4-{4-[(2-methyl-1-naphthyl)methyl]piperazino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

IUPAC name

3-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraene

SMILES

Cc1c(CN(CC2)CCN2c2c(c(CCCC3)c3s3)c3ncn2)c2ccccc2cc1

InChI

InChI=1S/C26H28N4S/c1-18-10-11-19-6-2-3-7-20(19)22(18)16-29-12-14-30(15-13-29)25-24-21-8-4-5-9-23(21)31-26(24)28-17-27-25/h2-3,6-7,10-11,17H,4-5,8-9,12-16H2,1H3

InChI Key

QDXRKLSFXDUHBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04188816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.6

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.507

Distribution Coefficient, logD

6.494

Water Solubility, LogSw

-6.92

Polar Surface Area

27.728

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

5.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

G786-0946 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G786-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0946?
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What is the minimum amount of G786-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0946
  • 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 G786-0946 available by request