C087-1130 Screening compound: 1-(2-fluorophenyl)-3-[3-(pyrrolidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea

C087-1130 Screening compound: 1-(2-fluorophenyl)-3-[3-(pyrrolidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea
C087-1130 Screening compound: 1-(2-fluorophenyl)-3-[3-(pyrrolidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-1130
1-(2-fluorophenyl)-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

C087-1130

Molecular Formula

C19H24FN3S2 (C19 H24 FN3 S2)

Compound Name

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

IUPAC name

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

SMILES

Fc(cccc1)c1NC(N(CCCN1CCCC1)Cc1cccs1)=S

InChI

InChI=1S/C19H24FN3S2/c20-17-8-1-2-9-18(17)21-19(24)23(15-16-7-5-14-25-16)13-6-12-22-10-3-4-11-22/h1-2,5,7-9,14H,3-4,6,10-13,15H2,(H,21,24)

InChI Key

RHIUUJDLPRBWFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05026689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.423

Distribution Coefficient, logD

1.926

Water Solubility, LogSw

-4.15

Polar Surface Area

15.075

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

C087-1130 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C087-1130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-1130?
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What is the minimum amount of C087-1130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-1130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-1130
  • 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 C087-1130 available by request