C087-0416 Screening compound: 1-(4-ethylphenyl)-3-[3-(pyrrolidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea

C087-0416 Screening compound: 1-(4-ethylphenyl)-3-[3-(pyrrolidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea
C087-0416 Screening compound: 1-(4-ethylphenyl)-3-[3-(pyrrolidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0416
1-(4-ethylphenyl)-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

C087-0416

Molecular Formula

C21H29N3S2 (C21 H29 N3 S2)

Compound Name

1-(4-ethylphenyl)-3-[3-(pyrrolidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea

IUPAC name

1-(4-ethylphenyl)-3-[3-(pyrrolidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea

SMILES

CCc(cc1)ccc1NC(N(CCCN1CCCC1)Cc1cccs1)=S

InChI

InChI=1S/C21H29N3S2/c1-2-18-8-10-19(11-9-18)22-21(25)24(17-20-7-5-16-26-20)15-6-14-23-12-3-4-13-23/h5,7-11,16H,2-4,6,12-15,17H2,1H3,(H,22,25)

InChI Key

XHIDYAAJLNHVMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.61

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.230

Distribution Coefficient, logD

2.733

Water Solubility, LogSw

-5.02

Polar Surface Area

15.773

Acid Dissociation Constant (pKa)

15.03

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with C087-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0416?
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What is the minimum amount of C087-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0416
  • 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 C087-0416 available by request