C087-0770 Screening compound: 1-(4-methoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea

C087-0770 Screening compound: 1-(4-methoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea
C087-0770 Screening compound: 1-(4-methoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0770
1-(4-methoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-3-[(thiophen-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

C087-0770

Molecular Formula

C21H30N4OS2 (C21 H30 N4 OS2)

Compound Name

1-(4-methoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea

IUPAC name

1-(4-methoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea

SMILES

CN1CCN(CCCN(Cc2cccs2)C(Nc(cc2)ccc2OC)=S)CC1

InChI

InChI=1S/C21H30N4OS2/c1-23-12-14-24(15-13-23)10-4-11-25(17-20-5-3-16-28-20)21(27)22-18-6-8-19(26-2)9-7-18/h3,5-9,16H,4,10-15,17H2,1-2H3,(H,22,27)

InChI Key

ZOJMWVKBQJOXIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.452

Distribution Coefficient, logD

2.637

Water Solubility, LogSw

-3.67

Polar Surface Area

26.428

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

8.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

C087-0770 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C087-0770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0770?
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What is the minimum amount of C087-0770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0770
  • 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 C087-0770 available by request