C087-0364 Screening compound: 1-[3-(azepan-1-yl)propyl]-3-(4-phenoxyphenyl)-1-[(thiophen-2-yl)methyl]thiourea

C087-0364 Screening compound: 1-[3-(azepan-1-yl)propyl]-3-(4-phenoxyphenyl)-1-[(thiophen-2-yl)methyl]thiourea
C087-0364 Screening compound: 1-[3-(azepan-1-yl)propyl]-3-(4-phenoxyphenyl)-1-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0364
1-[3-(azepan-1-yl)propyl]-3-(4-phenoxyphenyl)-1-[(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

C087-0364

Molecular Formula

C27H33N3OS2 (C27 H33 N3 OS2)

Compound Name

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

IUPAC name

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

SMILES

S=C(Nc(cc1)ccc1Oc1ccccc1)N(CCCN1CCCCCC1)Cc1cccs1

InChI

InChI=1S/C27H33N3OS2/c32-27(28-23-13-15-25(16-14-23)31-24-10-4-3-5-11-24)30(22-26-12-8-21-33-26)20-9-19-29-17-6-1-2-7-18-29/h3-5,8,10-16,21H,1-2,6-7,9,17-20,22H2,(H,28,32)

InChI Key

UQUDZIZHSHIASS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.71

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

6.849

Distribution Coefficient, logD

4.812

Water Solubility, LogSw

-6.07

Polar Surface Area

22.486

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

9.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

C087-0364 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 C087-0364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0364?
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What is the minimum amount of C087-0364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0364
  • 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 C087-0364 available by request