C087-0263 Screening compound: 1-(3-methoxyphenyl)-3-[3-(pyrrolidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea

C087-0263 Screening compound: 1-(3-methoxyphenyl)-3-[3-(pyrrolidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea
C087-0263 Screening compound: 1-(3-methoxyphenyl)-3-[3-(pyrrolidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0263
1-(3-methoxyphenyl)-3-[3-(pyrrolidin-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

C087-0263

Molecular Formula

C20H27N3OS2 (C20 H27 N3 OS2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(NC(N(CCCN2CCCC2)Cc2cccs2)=S)c1

InChI

InChI=1S/C20H27N3OS2/c1-24-18-8-4-7-17(15-18)21-20(25)23(16-19-9-5-14-26-19)13-6-12-22-10-2-3-11-22/h4-5,7-9,14-15H,2-3,6,10-13,16H2,1H3,(H,21,25)

InChI Key

MDQRXVPSCGJYDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.365

Distribution Coefficient, logD

1.869

Water Solubility, LogSw

-4.22

Polar Surface Area

23.317

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with C087-0263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0263?
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What is the minimum amount of C087-0263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0263
  • 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 C087-0263 available by request