K413-0344 Screening compound: 2-[(1-ethyl-1H-indol-3-yl)sulfanyl]-1-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

K413-0344 Screening compound: 2-[(1-ethyl-1H-indol-3-yl)sulfanyl]-1-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
K413-0344 Screening compound: 2-[(1-ethyl-1H-indol-3-yl)sulfanyl]-1-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K413-0344
2-[(1-ethyl-1H-indol-3-yl)sulfanyl]-1-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

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

K413-0344

Molecular Formula

C26H25N3O2S2 (C26 H25 N3 O2 S2)

Compound Name

2-[(1-ethyl-1H-indol-3-yl)sulfanyl]-1-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

IUPAC name

2-[(1-ethyl-1H-indol-3-yl)sulfanyl]-1-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]ethan-1-one

SMILES

CCn1c(cccc2)c2c(SCC(N(C(C2)c(cc3)ccc3OC)N=C2c2cccs2)=O)c1

InChI

InChI=1S/C26H25N3O2S2/c1-3-28-16-25(20-7-4-5-8-22(20)28)33-17-26(30)29-23(18-10-12-19(31-2)13-11-18)15-21(27-29)24-9-6-14-32-24/h4-14,16,23H,3,15,17H2,1-2H3/t23-/m1/s1

InChI Key

LKTKETCHWMDJRR-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD04453526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.620

Distribution Coefficient, logD

5.620

Water Solubility, LogSw

-5.62

Polar Surface Area

36.878

Acid Dissociation Constant (pKa)

19.21

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with K413-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K413-0344?
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What is the minimum amount of K413-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K413-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K413-0344
  • 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 K413-0344 available by request