K788-3721 Screening compound: 3-(4-chloro-2-methoxyphenyl)-1-cycloheptyl-1-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea

K788-3721 Screening compound: 3-(4-chloro-2-methoxyphenyl)-1-cycloheptyl-1-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
K788-3721 Screening compound: 3-(4-chloro-2-methoxyphenyl)-1-cycloheptyl-1-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-3721
3-(4-chloro-2-methoxyphenyl)-1-cycloheptyl-1-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)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

K788-3721

Molecular Formula

C29H36ClN3OS (C29 H36 ClN3 OS)

Compound Name

3-(4-chloro-2-methoxyphenyl)-1-cycloheptyl-1-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea

IUPAC name

3-(4-chloro-2-methoxyphenyl)-1-cycloheptyl-1-({1-[(24-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea

SMILES

Cc1cc(C)c(Cn2c(CN(C3CCCCCC3)C(Nc(ccc(Cl)c3)c3OC)=S)ccc2)cc1

InChI

InChI=1S/C29H36ClN3OS/c1-21-12-13-23(22(2)17-21)19-32-16-8-11-26(32)20-33(25-9-6-4-5-7-10-25)29(35)31-27-15-14-24(30)18-28(27)34-3/h8,11-18,25H,4-7,9-10,19-20H2,1-3H3,(H,31,35)

InChI Key

SMNNENAWRHQOLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.14

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.969

Distribution Coefficient, logD

8.969

Water Solubility, LogSw

-6.47

Polar Surface Area

19.007

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

K788-3721 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 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 K788-3721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-3721?
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What is the minimum amount of K788-3721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-3721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-3721
  • 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 K788-3721 available by request