C987-0127 Screening compound: 1-(4-ethylpiperazin-1-yl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propan-1-one

C987-0127 Screening compound: 1-(4-ethylpiperazin-1-yl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propan-1-one
C987-0127 Screening compound: 1-(4-ethylpiperazin-1-yl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C987-0127
1-(4-ethylpiperazin-1-yl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propan-1-one

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

C987-0127

Molecular Formula

C25H33N5O (C25 H33 N5 O)

Compound Name

1-(4-ethylpiperazin-1-yl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propan-1-one

IUPAC name

1-(4-ethylpiperazin-1-yl)-3-[346-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[34-b]pyridin-5-yl]propan-1-one

SMILES

CCN(CC1)CCN1C(CCc1c(C)nc2n(-c3ccc(C)cc3)nc(C)c2c1C)=O

InChI

InChI=1S/C25H33N5O/c1-6-28-13-15-29(16-14-28)23(31)12-11-22-18(3)24-20(5)27-30(25(24)26-19(22)4)21-9-7-17(2)8-10-21/h7-10H,6,11-16H2,1-5H3

InChI Key

STNXFDVXQHVUCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.413

Distribution Coefficient, logD

3.093

Water Solubility, LogSw

-3.75

Polar Surface Area

43.869

Acid Dissociation Constant (pKa)

20.63

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

C987-0127 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C987-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C987-0127?
Check Price and Availability of C987-0127, 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 C987-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C987-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C987-0127
  • 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 C987-0127 available by request