C987-0123 Screening compound: methyl 3-methyl-2-{3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamido}butanoate

C987-0123 Screening compound: methyl 3-methyl-2-{3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamido}butanoate
C987-0123 Screening compound: methyl 3-methyl-2-{3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamido}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C987-0123
methyl 3-methyl-2-{3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamido}butanoate

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

C987-0123

Molecular Formula

C25H32N4O3 (C25 H32 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(C(OC)=O)NC(CCc1c(C)nc2n(-c3ccc(C)cc3)nc(C)c2c1C)=O

InChI

InChI=1S/C25H32N4O3/c1-14(2)23(25(31)32-7)27-21(30)13-12-20-16(4)22-18(6)28-29(24(22)26-17(20)5)19-10-8-15(3)9-11-19/h8-11,14,23H,12-13H2,1-7H3,(H,27,30)/t23-/m0/s1

InChI Key

RLYJFWXQQUNVJH-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14809310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.55

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

4.335

Distribution Coefficient, logD

4.333

Water Solubility, LogSw

-4.50

Polar Surface Area

69.208

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C987-0123 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C987-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C987-0123?
Check Price and Availability of C987-0123, 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 C987-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C987-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C987-0123
  • 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 C987-0123 available by request