C509-0104 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-3-(4-chlorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

C509-0104 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-3-(4-chlorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
C509-0104 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-3-(4-chlorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C509-0104
N-{3-[benzyl(ethyl)amino]propyl}-3-(4-chlorophenyl)-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

C509-0104

Molecular Formula

C25H27ClN4OS (C25 H27 ClN4 OS)

Compound Name

N-{3-[benzyl(ethyl)amino]propyl}-3-(4-chlorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

IUPAC name

N-{3-[benzyl(ethyl)amino]propyl}-3-(4-chlorophenyl)-1-methyl-1H-thieno[23-c]pyrazole-5-carboxamide

SMILES

CCN(CCCNC(c1cc(c(-c(cc2)ccc2Cl)nn2C)c2s1)=O)Cc1ccccc1

InChI

InChI=1S/C25H27ClN4OS/c1-3-30(17-18-8-5-4-6-9-18)15-7-14-27-24(31)22-16-21-23(28-29(2)25(21)32-22)19-10-12-20(26)13-11-19/h4-6,8-13,16H,3,7,14-15,17H2,1-2H3,(H,27,31)

InChI Key

VSJFIYFOOVSZMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.03

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.779

Distribution Coefficient, logD

3.189

Water Solubility, LogSw

-4.82

Polar Surface Area

43.298

Acid Dissociation Constant (pKa)

15.66

Base Dissociation Constant (pKb)

8.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C509-0104 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C509-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C509-0104?
Check Price and Availability of C509-0104, 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 C509-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C509-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C509-0104
  • 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 C509-0104 available by request