C561-2139 Screening compound: N-[1-(adamantan-1-yl)ethyl]-3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

C561-2139 Screening compound: N-[1-(adamantan-1-yl)ethyl]-3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide
C561-2139 Screening compound: N-[1-(adamantan-1-yl)ethyl]-3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2139
N-[1-(adamantan-1-yl)ethyl]-3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-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

C561-2139

Molecular Formula

C32H42N4O (C32 H42 N4 O)

Compound Name

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

IUPAC name

N-[1-(adamantan-1-yl)ethyl]-3-[1-(34-dimethylphenyl)-346-trimethyl-1H-pyrazolo[34-b]pyridin-5-yl]propanamide

SMILES

CC(C1(CC(C2)C3)CC3CC2C1)NC(CCc1c(C)nc2n(-c3cc(C)c(C)cc3)nc(C)c2c1C)=O

InChI

InChI=1S/C32H42N4O/c1-18-7-8-27(11-19(18)2)36-31-30(22(5)35-36)20(3)28(21(4)33-31)9-10-29(37)34-23(6)32-15-24-12-25(16-32)14-26(13-24)17-32/h7-8,11,23-26H,9-10,12-17H2,1-6H3,(H,34,37)/t23-,24?,25?,26?,32?/m0/s1

InChI Key

UCKLVQLUKFLSKB-FXFIMBPBSA-N

MDL Number (MFCD)

MFCD14771387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.71

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.005

Distribution Coefficient, logD

6.993

Water Solubility, LogSw

-6.00

Polar Surface Area

47.607

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.40

C561-2139 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C561-2139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2139?
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What is the minimum amount of C561-2139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2139
  • 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 C561-2139 available by request