G414-0826 Screening compound: 3-{[4-(isopropylamino)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino}-1-propanol

G414-0826 Screening compound: 3-{[4-(isopropylamino)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino}-1-propanol
G414-0826 Screening compound: 3-{[4-(isopropylamino)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino}-1-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound G414-0826
3-{[4-(isopropylamino)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino}-1-propanol

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

G414-0826

Molecular Formula

C12H20N6O (C12 H20 N6 O)

Compound Name

3-{[4-(isopropylamino)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino}-1-propanol

IUPAC name

3-({1-methyl-4-[(propan-2-yl)amino]-1H-pyrazolo[34-d]pyrimidin-6-yl}amino)propan-1-ol

SMILES

CC(C)Nc1c(cnn2C)c2nc(NCCCO)n1

InChI

InChI=1S/C12H20N6O/c1-8(2)15-10-9-7-14-18(3)11(9)17-12(16-10)13-5-4-6-19/h7-8,19H,4-6H2,1-3H3,(H2,13,15,16,17)

InChI Key

ZRYZFVRDLIFLMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27140000

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

264.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.851

Distribution Coefficient, logD

0.828

Water Solubility, LogSw

-1.16

Polar Surface Area

71.915

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.33

G414-0826 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G414-0826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G414-0826?
Check Price and Availability of G414-0826, 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 G414-0826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G414-0826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G414-0826
  • 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 G414-0826 available by request