0884-0014 Screening compound: 1,3-bis(2-hydroxy-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate

0884-0014 Screening compound: 1,3-bis(2-hydroxy-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate
0884-0014 Screening compound: 1,3-bis(2-hydroxy-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0884-0014
1,3-bis(2-hydroxy-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate

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

0884-0014

Molecular Formula

C42H60N4O6 (C42 H60 N4 O6)

Compound Name

1,3-bis(2-hydroxy-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate

IUPAC name

13-bis(2-hydroxy-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propyl) 122-trimethylcyclopentane-13-dicarboxylate

SMILES

CC(C)(C(CC1)C(OCC(CN2CCN(C/C=C/c3ccccc3)CC2)O)=O)C1(C)C(OCC(CN1CCN(C/C=C/c2ccccc2)CC1)O)=O

InChI

InChI=1S/C42H60N4O6/c1-41(2)38(39(49)51-32-36(47)30-45-26-22-43(23-27-45)20-10-16-34-12-6-4-7-13-34)18-19-42(41,3)40(50)52-33-37(48)31-46-28-24-44(25-29-46)21-11-17-35-14-8-5-9-15-35/h4-17,36-38,47-48H,18-33H2,1-3H3

InChI Key

IQISTGJVJKTXQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00612402

Chemical and Physical Properties

Saltdata

4HCl

Molecular Weight

716.96

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.054

Distribution Coefficient, logD

4.476

Water Solubility, LogSw

-4.50

Polar Surface Area

90.797

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

57.10

0884-0014 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0884-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0884-0014?
Check Price and Availability of 0884-0014, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0884-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0884-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0884-0014
  • 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 0884-0014 available by request