C087-0077 Screening compound: 1-(4-CHLOROPHENYL)-3-[(FURAN-2-YL)METHYL]-3-[3-(PYRROLIDIN-1-YL)PROPYL]THIOUREA

C087-0077 Screening compound: 1-(4-CHLOROPHENYL)-3-[(FURAN-2-YL)METHYL]-3-[3-(PYRROLIDIN-1-YL)PROPYL]THIOUREA
C087-0077 Screening compound: 1-(4-CHLOROPHENYL)-3-[(FURAN-2-YL)METHYL]-3-[3-(PYRROLIDIN-1-YL)PROPYL]THIOUREA alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0077
1-(4-CHLOROPHENYL)-3-[(FURAN-2-YL)METHYL]-3-[3-(PYRROLIDIN-1-YL)PROPYL]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

C087-0077

Molecular Formula

C19H24ClN3OS (C19 H24 ClN3 OS)

Compound Name

1-(4-CHLOROPHENYL)-3-[(FURAN-2-YL)METHYL]-3-[3-(PYRROLIDIN-1-YL)PROPYL]THIOUREA

IUPAC name

n/a

SMILES

S=C(Nc(cc1)ccc1Cl)N(CCCN1CCCC1)Cc1ccco1

InChI

InChI=1S/C19H24ClN3OS/c20-16-6-8-17(9-7-16)21-19(25)23(15-18-5-3-14-24-18)13-4-12-22-10-1-2-11-22/h3,5-9,14H,1-2,4,10-13,15H2,(H,21,25)

InChI Key

WYOPDFMIHZRQBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.469

Distribution Coefficient, logD

1.972

Water Solubility, LogSw

-4.59

Polar Surface Area

22.504

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

C087-0077 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C087-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0077?
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What is the minimum amount of C087-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0077
  • 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 C087-0077 available by request