K788-5576 Screening compound: N-[(1-BUTYL-2,3-DIHYDRO-1H-INDOL-5-YL)METHYL]-N'-(3-CHLORO-4-FLUOROPHENYL)-N-CYCLOPENTYLTHIOUREA

K788-5576 Screening compound: N-[(1-BUTYL-2,3-DIHYDRO-1H-INDOL-5-YL)METHYL]-N'-(3-CHLORO-4-FLUOROPHENYL)-N-CYCLOPENTYLTHIOUREA
K788-5576 Screening compound: N-[(1-BUTYL-2,3-DIHYDRO-1H-INDOL-5-YL)METHYL]-N'-(3-CHLORO-4-FLUOROPHENYL)-N-CYCLOPENTYLTHIOUREA alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5576
N-[(1-BUTYL-2,3-DIHYDRO-1H-INDOL-5-YL)METHYL]-N'-(3-CHLORO-4-FLUOROPHENYL)-N-CYCLOPENTYLTHIOUREA

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

K788-5576

Molecular Formula

C25H31ClFN3S (C25 H31 ClFN3 S)

Compound Name

N-[(1-BUTYL-2,3-DIHYDRO-1H-INDOL-5-YL)METHYL]-N'-(3-CHLORO-4-FLUOROPHENYL)-N-CYCLOPENTYLTHIOUREA

IUPAC name

3-[(1-butyl-23-dihydro-1H-indol-5-yl)methyl]-1-(3-chloro-4-fluorophenyl)-3-cyclopentylthiourea

SMILES

CCCCN(CC1)c2c1cc(CN(C1CCCC1)C(Nc(cc1)cc(Cl)c1F)=S)cc2

InChI

InChI=1S/C25H31ClFN3S/c1-2-3-13-29-14-12-19-15-18(8-11-24(19)29)17-30(21-6-4-5-7-21)25(31)28-20-9-10-23(27)22(26)16-20/h8-11,15-16,21H,2-7,12-14,17H2,1H3,(H,28,31)

InChI Key

KHZHIPXDOLEAOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.06

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.084

Distribution Coefficient, logD

6.391

Water Solubility, LogSw

-6.71

Polar Surface Area

13.217

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

9.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

K788-5576 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K788-5576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5576?
Check Price and Availability of K788-5576, 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 K788-5576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5576
  • 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 K788-5576 available by request