C509-0049 Screening compound: 3-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

C509-0049 Screening compound: 3-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
C509-0049 Screening compound: 3-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C509-0049
3-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

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

C509-0049

Molecular Formula

C21H24ClN3OS (C21 H24 ClN3 OS)

Compound Name

3-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

IUPAC name

3-(4-chlorophenyl)-N-(23-dimethylcyclohexyl)-1-methyl-1H-thieno[23-c]pyrazole-5-carboxamide

SMILES

CC(CCC1)C(C)C1NC(c1cc(c(-c(cc2)ccc2Cl)nn2C)c2s1)=O

InChI

InChI=1S/C21H24ClN3OS/c1-12-5-4-6-17(13(12)2)23-20(26)18-11-16-19(24-25(3)21(16)27-18)14-7-9-15(22)10-8-14/h7-13,17H,4-6H2,1-3H3,(H,23,26)

InChI Key

NMLGRYAJRYWJNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.96

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.968

Distribution Coefficient, logD

4.968

Water Solubility, LogSw

-5.10

Polar Surface Area

39.885

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

42.90

C509-0049 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C509-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C509-0049?
Check Price and Availability of C509-0049, 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 C509-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C509-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C509-0049
  • 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 C509-0049 available by request