C087-0365 Screening compound: 1-(4-phenoxyphenyl)-3-[3-(pyrrolidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea

C087-0365 Screening compound: 1-(4-phenoxyphenyl)-3-[3-(pyrrolidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea
C087-0365 Screening compound: 1-(4-phenoxyphenyl)-3-[3-(pyrrolidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0365
1-(4-phenoxyphenyl)-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

C087-0365

Molecular Formula

C25H29N3OS2 (C25 H29 N3 OS2)

Compound Name

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

IUPAC name

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

SMILES

S=C(Nc(cc1)ccc1Oc1ccccc1)N(CCCN1CCCC1)Cc1cccs1

InChI

InChI=1S/C25H29N3OS2/c30-25(26-21-11-13-23(14-12-21)29-22-8-2-1-3-9-22)28(20-24-10-6-19-31-24)18-7-17-27-15-4-5-16-27/h1-3,6,8-14,19H,4-5,7,15-18,20H2,(H,26,30)

InChI Key

RYVRHHNLLDGBCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.989

Distribution Coefficient, logD

3.492

Water Solubility, LogSw

-5.92

Polar Surface Area

22.521

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C087-0365 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C087-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0365?
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What is the minimum amount of C087-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0365
  • 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 C087-0365 available by request