J107-0653 Screening compound: N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

J107-0653 Screening compound: N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
J107-0653 Screening compound: N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J107-0653
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3,5-dimethyl-1H-pyrazol-4-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

J107-0653

Molecular Formula

C20H23ClN4O (C20 H23 ClN4 O)

Compound Name

N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

IUPAC name

N-(8-chloro-2349-tetrahydro-1H-carbazol-1-yl)-3-(35-dimethyl-1H-pyrazol-4-yl)propanamide

SMILES

Cc1c(CCC(NC(CCC2)c3c2c2cccc(Cl)c2[nH]3)=O)c(C)n[nH]1

InChI

InChI=1S/C20H23ClN4O/c1-11-13(12(2)25-24-11)9-10-18(26)22-17-8-4-6-15-14-5-3-7-16(21)19(14)23-20(15)17/h3,5,7,17,23H,4,6,8-10H2,1-2H3,(H,22,26)(H,24,25)/t17-/m0/s1

InChI Key

AUHTWSGFEQKHCO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD28055483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.88

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.748

Distribution Coefficient, logD

3.747

Water Solubility, LogSw

-4.03

Polar Surface Area

59.178

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

J107-0653 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J107-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J107-0653?
Check Price and Availability of J107-0653, 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 J107-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J107-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J107-0653
  • 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 J107-0653 available by request