G414-1357 Screening compound: 2-[4-(1-methyl-4-{[2-(thiophen-2-yl)ethyl]amino}-1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperazin-1-yl]ethan-1-ol

G414-1357 Screening compound: 2-[4-(1-methyl-4-{[2-(thiophen-2-yl)ethyl]amino}-1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperazin-1-yl]ethan-1-ol
G414-1357 Screening compound: 2-[4-(1-methyl-4-{[2-(thiophen-2-yl)ethyl]amino}-1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperazin-1-yl]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound G414-1357
2-[4-(1-methyl-4-{[2-(thiophen-2-yl)ethyl]amino}-1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperazin-1-yl]ethan-1-ol

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

G414-1357

Molecular Formula

C18H25N7OS (C18 H25 N7 OS)

Compound Name

2-[4-(1-methyl-4-{[2-(thiophen-2-yl)ethyl]amino}-1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperazin-1-yl]ethan-1-ol

IUPAC name

2-[4-(1-methyl-4-{[2-(thiophen-2-yl)ethyl]amino}-1H-pyrazolo[34-d]pyrimidin-6-yl)piperazin-1-yl]ethan-1-ol

SMILES

Cn1ncc2c1nc(N1CCN(CCO)CC1)nc2NCCc1cccs1

InChI

InChI=1S/C18H25N7OS/c1-23-17-15(13-20-23)16(19-5-4-14-3-2-12-27-14)21-18(22-17)25-8-6-24(7-9-25)10-11-26/h2-3,12-13,26H,4-11H2,1H3,(H,19,21,22)

InChI Key

CUYOGEWISAAJTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15010551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.137

Distribution Coefficient, logD

1.974

Water Solubility, LogSw

-2.02

Polar Surface Area

68.217

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G414-1357 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G414-1357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G414-1357?
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What is the minimum amount of G414-1357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G414-1357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G414-1357
  • 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 G414-1357 available by request