K788-6437 Screening compound: 1-(3-chlorophenyl)-3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-[3-(pyrrolidin-1-yl)propyl]thiourea

K788-6437 Screening compound: 1-(3-chlorophenyl)-3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-[3-(pyrrolidin-1-yl)propyl]thiourea
K788-6437 Screening compound: 1-(3-chlorophenyl)-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 K788-6437
1-(3-chlorophenyl)-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

K788-6437

Molecular Formula

C26H30Cl2N4S (C26 H30 Cl2 N4 S)

Compound Name

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

IUPAC name

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

SMILES

S=C(Nc1cccc(Cl)c1)N(CCCN1CCCC1)Cc1cccn1Cc(cc1)ccc1Cl

InChI

InChI=1S/C26H30Cl2N4S/c27-22-11-9-21(10-12-22)19-31-16-4-8-25(31)20-32(17-5-15-30-13-1-2-14-30)26(33)29-24-7-3-6-23(28)18-24/h3-4,6-12,16,18H,1-2,5,13-15,17,19-20H2,(H,29,33)

InChI Key

MXLFJBAJDFTZCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.52

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

6.514

Distribution Coefficient, logD

4.017

Water Solubility, LogSw

-6.70

Polar Surface Area

16.825

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

K788-6437 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Selective Target Activity Profiling Library (14702 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 K788-6437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6437?
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What is the minimum amount of K788-6437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6437
  • 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 K788-6437 available by request