C987-0121 Screening compound: ethyl 2-{3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamido}benzoate

C987-0121 Screening compound: ethyl 2-{3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamido}benzoate
C987-0121 Screening compound: ethyl 2-{3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C987-0121
ethyl 2-{3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamido}benzoate

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

C987-0121

Molecular Formula

C28H30N4O3 (C28 H30 N4 O3)

Compound Name

ethyl 2-{3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamido}benzoate

IUPAC name

ethyl 2-{3-[346-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[34-b]pyridin-5-yl]propanamido}benzoate

SMILES

CCOC(c(cccc1)c1NC(CCc1c(C)nc2n(-c3ccc(C)cc3)nc(C)c2c1C)=O)=O

InChI

InChI=1S/C28H30N4O3/c1-6-35-28(34)23-9-7-8-10-24(23)30-25(33)16-15-22-18(3)26-20(5)31-32(27(26)29-19(22)4)21-13-11-17(2)12-14-21/h7-14H,6,15-16H2,1-5H3,(H,30,33)

InChI Key

LRXPNFBOFIDSEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.226

Distribution Coefficient, logD

5.177

Water Solubility, LogSw

-5.22

Polar Surface Area

67.145

Acid Dissociation Constant (pKa)

8.34

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C987-0121 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C987-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C987-0121?
Check Price and Availability of C987-0121, 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 C987-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C987-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C987-0121
  • 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 C987-0121 available by request