C388-0022 Screening compound: 1-(4-chloro-2-methoxyphenyl)-3-cyclopentyl-3-[(1H-indol-3-yl)methyl]thiourea

C388-0022 Screening compound: 1-(4-chloro-2-methoxyphenyl)-3-cyclopentyl-3-[(1H-indol-3-yl)methyl]thiourea
C388-0022 Screening compound: 1-(4-chloro-2-methoxyphenyl)-3-cyclopentyl-3-[(1H-indol-3-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C388-0022
1-(4-chloro-2-methoxyphenyl)-3-cyclopentyl-3-[(1H-indol-3-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

C388-0022

Molecular Formula

C22H24ClN3OS (C22 H24 ClN3 OS)

Compound Name

1-(4-chloro-2-methoxyphenyl)-3-cyclopentyl-3-[(1H-indol-3-yl)methyl]thiourea

IUPAC name

1-(4-chloro-2-methoxyphenyl)-3-cyclopentyl-3-[(1H-indol-3-yl)methyl]thiourea

SMILES

COc(cc(cc1)Cl)c1NC(N(Cc1c[nH]c2c1cccc2)C1CCCC1)=S

InChI

InChI=1S/C22H24ClN3OS/c1-27-21-12-16(23)10-11-20(21)25-22(28)26(17-6-2-3-7-17)14-15-13-24-19-9-5-4-8-18(15)19/h4-5,8-13,17,24H,2-3,6-7,14H2,1H3,(H,25,28)

InChI Key

FGOANXSWDLAEDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.97

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.332

Distribution Coefficient, logD

6.332

Water Solubility, LogSw

-6.27

Polar Surface Area

26.842

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C388-0022 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C388-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C388-0022?
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What is the minimum amount of C388-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C388-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C388-0022
  • 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 C388-0022 available by request