K788-6440 Screening compound: 1-(3-chloro-4-methylphenyl)-3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-[3-(pyrrolidin-1-yl)propyl]thiourea

K788-6440 Screening compound: 1-(3-chloro-4-methylphenyl)-3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-[3-(pyrrolidin-1-yl)propyl]thiourea
K788-6440 Screening compound: 1-(3-chloro-4-methylphenyl)-3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-[3-(pyrrolidin-1-yl)propyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-6440
1-(3-chloro-4-methylphenyl)-3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-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

K788-6440

Molecular Formula

C27H32Cl2N4S (C27 H32 Cl2 N4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(NC(N(CCCN1CCCC1)Cc1cccn1Cc(cc1)ccc1Cl)=S)c1)c1Cl

InChI

InChI=1S/C27H32Cl2N4S/c1-21-7-12-24(18-26(21)29)30-27(34)33(17-5-15-31-13-2-3-14-31)20-25-6-4-16-32(25)19-22-8-10-23(28)11-9-22/h4,6-12,16,18H,2-3,5,13-15,17,19-20H2,1H3,(H,30,34)

InChI Key

UPXSQTKCJWIRJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.151

Distribution Coefficient, logD

4.654

Water Solubility, LogSw

-6.63

Polar Surface Area

16.825

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

K788-6440 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Antiviral Annotated Library (21441 compounds)

CORONAVIRUS Library (20774 compounds)

Human GPCR Annotated Library (5539 compounds)

Regenerative Medicine Focused Library (23016 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
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K788-6440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6440?
Check Price and Availability of K788-6440, 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 K788-6440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6440
  • 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 K788-6440 available by request