G394-0876 Screening compound: 1'-[5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]-1,4'-bipiperidine

G394-0876 Screening compound: 1'-[5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]-1,4'-bipiperidine
G394-0876 Screening compound: 1'-[5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]-1,4'-bipiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound G394-0876
1'-[5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]-1,4'-bipiperidine

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

G394-0876

Molecular Formula

C25H38N6OS (C25 H38 N6 OS)

Compound Name

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

IUPAC name

1'-[5-methyl-4-(4-propylpiperazin-1-yl)thieno[23-d]pyrimidine-6-carbonyl]-14'-bipiperidine

SMILES

CCCN(CC1)CCN1c1c(c(C)c(C(N(CC2)CCC2N2CCCCC2)=O)s2)c2ncn1

InChI

InChI=1S/C25H38N6OS/c1-3-9-28-14-16-30(17-15-28)23-21-19(2)22(33-24(21)27-18-26-23)25(32)31-12-7-20(8-13-31)29-10-5-4-6-11-29/h18,20H,3-17H2,1-2H3

InChI Key

GWYLJLPOWWSPJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.935

Distribution Coefficient, logD

0.496

Water Solubility, LogSw

-3.87

Polar Surface Area

48.071

Acid Dissociation Constant (pKa)

22.35

Base Dissociation Constant (pKb)

10.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.00

G394-0876 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 G394-0876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G394-0876?
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What is the minimum amount of G394-0876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G394-0876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G394-0876
  • 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 G394-0876 available by request