C388-0504 Screening compound: 1-cycloheptyl-1-[(1-methyl-1H-indol-3-yl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea

C388-0504 Screening compound: 1-cycloheptyl-1-[(1-methyl-1H-indol-3-yl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea
C388-0504 Screening compound: 1-cycloheptyl-1-[(1-methyl-1H-indol-3-yl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C388-0504
1-cycloheptyl-1-[(1-methyl-1H-indol-3-yl)methyl]-3-[3-(trifluoromethyl)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

C388-0504

Molecular Formula

C25H28F3N3S (C25 H28 F3 N3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H28F3N3S/c1-30-16-18(22-13-6-7-14-23(22)30)17-31(21-11-4-2-3-5-12-21)24(32)29-20-10-8-9-19(15-20)25(26,27)28/h6-10,13-16,21H,2-5,11-12,17H2,1H3,(H,29,32)

InChI Key

GAZHVWGJAKPHRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.58

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.505

Distribution Coefficient, logD

7.505

Water Solubility, LogSw

-6.08

Polar Surface Area

12.563

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C388-0504 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C388-0504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C388-0504?
Check Price and Availability of C388-0504, 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 C388-0504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C388-0504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C388-0504
  • 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 C388-0504 available by request