K788-6433 Screening compound: 1-(3-chloro-2-methylphenyl)-3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-[3-(pyrrolidin-1-yl)propyl]thiourea

K788-6433 Screening compound: 1-(3-chloro-2-methylphenyl)-3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-[3-(pyrrolidin-1-yl)propyl]thiourea
K788-6433 Screening compound: 1-(3-chloro-2-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 K788-6433
1-(3-chloro-2-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

K788-6433

Molecular Formula

C27H32Cl2N4S (C27 H32 Cl2 N4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(NC(N(CCCN1CCCC1)Cc1cccn1Cc(cc1)ccc1Cl)=S)ccc1)c1Cl

InChI

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

InChI Key

DUVFQHDFCULGQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106477

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

6.912

Distribution Coefficient, logD

4.415

Water Solubility, LogSw

-6.61

Polar Surface Area

16.127

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

K788-6433 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K788-6433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6433?
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What is the minimum amount of K788-6433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6433
  • 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 K788-6433 available by request