C087-0107 Screening compound: ethyl 4-({[3-(4-methylpiperazin-1-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate

C087-0107 Screening compound: ethyl 4-({[3-(4-methylpiperazin-1-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate
C087-0107 Screening compound: ethyl 4-({[3-(4-methylpiperazin-1-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0107
ethyl 4-({[3-(4-methylpiperazin-1-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate

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

C087-0107

Molecular Formula

C23H32N4O2S2 (C23 H32 N4 O2 S2)

Compound Name

ethyl 4-({[3-(4-methylpiperazin-1-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate

IUPAC name

ethyl 4-({[3-(4-methylpiperazin-1-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate

SMILES

CCOC(c(cc1)ccc1NC(N(CCCN1CCN(C)CC1)Cc1cccs1)=S)=O

InChI

InChI=1S/C23H32N4O2S2/c1-3-29-22(28)19-7-9-20(10-8-19)24-23(30)27(18-21-6-4-17-31-21)12-5-11-26-15-13-25(2)14-16-26/h4,6-10,17H,3,5,11-16,18H2,1-2H3,(H,24,30)

InChI Key

VRUORVQUYIRXRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.071

Distribution Coefficient, logD

3.256

Water Solubility, LogSw

-3.85

Polar Surface Area

39.637

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

8.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

C087-0107 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 C087-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0107?
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What is the minimum amount of C087-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0107
  • 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 C087-0107 available by request