4164-0063 Screening compound: 2,6-bis[(dimethylamino)methyl]-1,7-bis(4-propoxyphenyl)heptane-1,7-dione

4164-0063 Screening compound: 2,6-bis[(dimethylamino)methyl]-1,7-bis(4-propoxyphenyl)heptane-1,7-dione
4164-0063 Screening compound: 2,6-bis[(dimethylamino)methyl]-1,7-bis(4-propoxyphenyl)heptane-1,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4164-0063
2,6-bis[(dimethylamino)methyl]-1,7-bis(4-propoxyphenyl)heptane-1,7-dione

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

4164-0063

Molecular Formula

C31H46N2O4 (C31 H46 N2 O4)

Compound Name

2,6-bis[(dimethylamino)methyl]-1,7-bis(4-propoxyphenyl)heptane-1,7-dione

IUPAC name

26-bis[(dimethylamino)methyl]-17-bis(4-propoxyphenyl)heptane-17-dione

SMILES

CCCOc(cc1)ccc1C(C(CCCC(CN(C)C)C(c(cc1)ccc1OCCC)=O)CN(C)C)=O

InChI

InChI=1S/C31H46N2O4/c1-7-20-36-28-16-12-24(13-17-28)30(34)26(22-32(3)4)10-9-11-27(23-33(5)6)31(35)25-14-18-29(19-15-25)37-21-8-2/h12-19,26-27H,7-11,20-23H2,1-6H3

InChI Key

OAFRDWCVIBXSEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00655915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.72

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.530

Distribution Coefficient, logD

5.172

Water Solubility, LogSw

-5.36

Polar Surface Area

50.054

Acid Dissociation Constant (pKa)

19.77

Base Dissociation Constant (pKb)

7.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.80

4164-0063 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 4164-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4164-0063?
Check Price and Availability of 4164-0063, 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 4164-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4164-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4164-0063
  • 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 4164-0063 available by request