G336-0395 Screening compound: 1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butane-1,4-dione

G336-0395 Screening compound: 1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butane-1,4-dione
G336-0395 Screening compound: 1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butane-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G336-0395
1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butane-1,4-dione

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

G336-0395

Molecular Formula

C26H32N6O2S (C26 H32 N6 O2 S)

Compound Name

1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butane-1,4-dione

IUPAC name

1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-(4-{[13]thiazolo[54-b]pyridin-2-yl}piperazin-1-yl)butane-14-dione

SMILES

CC(CN(CC1)C(CCC(N(CC2)CCN2c2nc3cccnc3s2)=O)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C26H32N6O2S/c1-19-5-3-6-21(17-19)32-16-15-31(18-20(32)2)24(34)9-8-23(33)29-11-13-30(14-12-29)26-28-22-7-4-10-27-25(22)35-26/h3-7,10,17,20H,8-9,11-16,18H2,1-2H3/t20-/m0/s1

InChI Key

MAEWGLJWYJGPPE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27135824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.037

Distribution Coefficient, logD

3.037

Water Solubility, LogSw

-3.05

Polar Surface Area

57.432

Acid Dissociation Constant (pKa)

22.83

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

G336-0395 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 G336-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G336-0395?
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What is the minimum amount of G336-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G336-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G336-0395
  • 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 G336-0395 available by request