C388-0516 Screening compound: 1-cycloheptyl-1-[(1-methyl-1H-indol-3-yl)methyl]-3-[3-(methylsulfanyl)phenyl]thiourea

C388-0516 Screening compound: 1-cycloheptyl-1-[(1-methyl-1H-indol-3-yl)methyl]-3-[3-(methylsulfanyl)phenyl]thiourea
C388-0516 Screening compound: 1-cycloheptyl-1-[(1-methyl-1H-indol-3-yl)methyl]-3-[3-(methylsulfanyl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C388-0516
1-cycloheptyl-1-[(1-methyl-1H-indol-3-yl)methyl]-3-[3-(methylsulfanyl)phenyl]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

C388-0516

Molecular Formula

C25H31N3S2 (C25 H31 N3 S2)

Compound Name

1-cycloheptyl-1-[(1-methyl-1H-indol-3-yl)methyl]-3-[3-(methylsulfanyl)phenyl]thiourea

IUPAC name

1-cycloheptyl-1-[(1-methyl-1H-indol-3-yl)methyl]-3-[3-(methylsulfanyl)phenyl]thiourea

SMILES

Cn1c(cccc2)c2c(CN(C2CCCCCC2)C(Nc2cc(SC)ccc2)=S)c1

InChI

InChI=1S/C25H31N3S2/c1-27-17-19(23-14-7-8-15-24(23)27)18-28(21-11-5-3-4-6-12-21)25(29)26-20-10-9-13-22(16-20)30-2/h7-10,13-17,21H,3-6,11-12,18H2,1-2H3,(H,26,29)

InChI Key

SXMQYWIRXCRPLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.67

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.923

Distribution Coefficient, logD

6.923

Water Solubility, LogSw

-5.98

Polar Surface Area

12.563

Acid Dissociation Constant (pKa)

15.57

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C388-0516 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 C388-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C388-0516?
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What is the minimum amount of C388-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C388-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C388-0516
  • 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 C388-0516 available by request