C999-0219 Screening compound: 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide

C999-0219 Screening compound: 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide
C999-0219 Screening compound: 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-0219
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide

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

C999-0219

Molecular Formula

C28H34N4O2 (C28 H34 N4 O2)

Compound Name

3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide

IUPAC name

3-[1-(34-dimethylphenyl)-346-trimethyl-1H-pyrazolo[34-b]pyridin-5-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide

SMILES

CC(CCc1ccco1)NC(CCc1c(C)nc2n(-c3cc(C)c(C)cc3)nc(C)c2c1C)=O

InChI

InChI=1S/C28H34N4O2/c1-17-9-11-23(16-18(17)2)32-28-27(22(6)31-32)20(4)25(21(5)30-28)13-14-26(33)29-19(3)10-12-24-8-7-15-34-24/h7-9,11,15-16,19H,10,12-14H2,1-6H3,(H,29,33)/t19-/m0/s1

InChI Key

WZSNTXMUNNRMBJ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14809769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.962

Distribution Coefficient, logD

5.949

Water Solubility, LogSw

-5.78

Polar Surface Area

55.601

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

C999-0219 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS Targets (44014 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C999-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-0219?
Check Price and Availability of C999-0219, 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 C999-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-0219
  • 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 C999-0219 available by request