K788-6443 Screening compound: 3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(4-ethoxyphenyl)-3-[3-(pyrrolidin-1-yl)propyl]thiourea

K788-6443 Screening compound: 3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(4-ethoxyphenyl)-3-[3-(pyrrolidin-1-yl)propyl]thiourea
K788-6443 Screening compound: 3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(4-ethoxyphenyl)-3-[3-(pyrrolidin-1-yl)propyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-6443
3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(4-ethoxyphenyl)-3-[3-(pyrrolidin-1-yl)propyl]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

K788-6443

Molecular Formula

C28H35ClN4OS (C28 H35 ClN4 OS)

Compound Name

3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(4-ethoxyphenyl)-3-[3-(pyrrolidin-1-yl)propyl]thiourea

IUPAC name

3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(4-ethoxyphenyl)-3-[3-(pyrrolidin-1-yl)propyl]thiourea

SMILES

CCOc(cc1)ccc1NC(N(CCCN1CCCC1)Cc1cccn1Cc(cc1)ccc1Cl)=S

InChI

InChI=1S/C28H35ClN4OS/c1-2-34-27-14-12-25(13-15-27)30-28(35)33(20-6-18-31-16-3-4-17-31)22-26-7-5-19-32(26)21-23-8-10-24(29)11-9-23/h5,7-15,19H,2-4,6,16-18,20-22H2,1H3,(H,30,35)

InChI Key

GNYMYZXEVAJDIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.13

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.129

Distribution Coefficient, logD

3.633

Water Solubility, LogSw

-6.21

Polar Surface Area

23.949

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

K788-6443 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K788-6443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6443?
Check Price and Availability of K788-6443, 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 K788-6443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6443
  • 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 K788-6443 available by request