G394-0868 Screening compound: 2-methyl-4-[5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]-1-(3-methylphenyl)piperazine

G394-0868 Screening compound: 2-methyl-4-[5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]-1-(3-methylphenyl)piperazine
G394-0868 Screening compound: 2-methyl-4-[5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]-1-(3-methylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G394-0868
2-methyl-4-[5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]-1-(3-methylphenyl)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

G394-0868

Molecular Formula

C27H36N6OS (C27 H36 N6 OS)

Compound Name

2-methyl-4-[5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]-1-(3-methylphenyl)piperazine

IUPAC name

2-methyl-4-[5-methyl-4-(4-propylpiperazin-1-yl)thieno[23-d]pyrimidine-6-carbonyl]-1-(3-methylphenyl)piperazine

SMILES

CCCN(CC1)CCN1c1c(c(C)c(C(N(CC2)CC(C)N2c2cc(C)ccc2)=O)s2)c2ncn1

InChI

InChI=1S/C27H36N6OS/c1-5-9-30-10-12-31(13-11-30)25-23-21(4)24(35-26(23)29-18-28-25)27(34)32-14-15-33(20(3)17-32)22-8-6-7-19(2)16-22/h6-8,16,18,20H,5,9-15,17H2,1-4H3/t20-/m0/s1

InChI Key

GCIPYYYEALCFDR-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15007437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.69

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

5.102

Distribution Coefficient, logD

4.517

Water Solubility, LogSw

-5.09

Polar Surface Area

47.456

Acid Dissociation Constant (pKa)

22.35

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.90

G394-0868 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G394-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G394-0868?
Check Price and Availability of G394-0868, 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 G394-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G394-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G394-0868
  • 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 G394-0868 available by request