K788-6368 Screening compound: 1-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-{3-[cyclohexyl(methyl)amino]propyl}-3-[3-(trifluoromethyl)phenyl]thiourea

K788-6368 Screening compound: 1-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-{3-[cyclohexyl(methyl)amino]propyl}-3-[3-(trifluoromethyl)phenyl]thiourea
K788-6368 Screening compound: 1-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-{3-[cyclohexyl(methyl)amino]propyl}-3-[3-(trifluoromethyl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-6368
1-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-{3-[cyclohexyl(methyl)amino]propyl}-3-[3-(trifluoromethyl)phenyl]thiourea

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

K788-6368

Molecular Formula

C30H36ClF3N4S (C30 H36 ClF3 N4 S)

Compound Name

1-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-{3-[cyclohexyl(methyl)amino]propyl}-3-[3-(trifluoromethyl)phenyl]thiourea

IUPAC name

1-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-{3-[cyclohexyl(methyl)amino]propyl}-3-[3-(trifluoromethyl)phenyl]thiourea

SMILES

CN(CCCN(Cc1cccn1Cc(cc1)ccc1Cl)C(Nc1cc(C(F)(F)F)ccc1)=S)C1CCCCC1

InChI

InChI=1S/C30H36ClF3N4S/c1-36(27-10-3-2-4-11-27)17-7-19-38(29(39)35-26-9-5-8-24(20-26)30(32,33)34)22-28-12-6-18-37(28)21-23-13-15-25(31)16-14-23/h5-6,8-9,12-16,18,20,27H,2-4,7,10-11,17,19,21-22H2,1H3,(H,35,39)

InChI Key

BRPXHMZLWDVQRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

577.16

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.915

Distribution Coefficient, logD

5.924

Water Solubility, LogSw

-6.80

Polar Surface Area

15.514

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

9.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.30

K788-6368 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Lipid Metabolism Library (9174 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with K788-6368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6368?
Check Price and Availability of K788-6368, 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 K788-6368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6368
  • 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 K788-6368 available by request