K413-0409 Screening compound: 1-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(1-propyl-1H-indol-3-yl)sulfanyl]ethan-1-one

K413-0409 Screening compound: 1-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(1-propyl-1H-indol-3-yl)sulfanyl]ethan-1-one
K413-0409 Screening compound: 1-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(1-propyl-1H-indol-3-yl)sulfanyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K413-0409
1-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(1-propyl-1H-indol-3-yl)sulfanyl]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

K413-0409

Molecular Formula

C27H27N3O2S2 (C27 H27 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCn1c(cccc2)c2c(SCC(N(C(C2)c(cc3)ccc3OC)N=C2c2cccs2)=O)c1

InChI

InChI=1S/C27H27N3O2S2/c1-3-14-29-17-26(21-7-4-5-8-23(21)29)34-18-27(31)30-24(19-10-12-20(32-2)13-11-19)16-22(28-30)25-9-6-15-33-25/h4-13,15,17,24H,3,14,16,18H2,1-2H3/t24-/m1/s1

InChI Key

PRTSCEULOYLMKZ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD04453557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.133

Distribution Coefficient, logD

6.133

Water Solubility, LogSw

-5.71

Polar Surface Area

37.131

Acid Dissociation Constant (pKa)

19.21

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

K413-0409 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 K413-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K413-0409?
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What is the minimum amount of K413-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K413-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K413-0409
  • 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 K413-0409 available by request