5491-0170 Screening compound: 1-[bis(2-hydroxyethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol

5491-0170 Screening compound: 1-[bis(2-hydroxyethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
5491-0170 Screening compound: 1-[bis(2-hydroxyethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5491-0170
1-[bis(2-hydroxyethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol

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

5491-0170

Molecular Formula

C14H23NO5 (C14 H23 NO5)

Compound Name

1-[bis(2-hydroxyethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol

IUPAC name

1-[bis(2-hydroxyethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol

SMILES

COc(cc1)ccc1OCC(CN(CCO)CCO)O

InChI

InChI=1S/C14H23NO5/c1-19-13-2-4-14(5-3-13)20-11-12(18)10-15(6-8-16)7-9-17/h2-5,12,16-18H,6-11H2,1H3/t12-/m0/s1

InChI Key

NKDITKGYLAYLJQ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00539288

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

285.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.692

Distribution Coefficient, logD

0.543

Water Solubility, LogSw

-1.27

Polar Surface Area

69.152

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

5491-0170 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5491-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5491-0170?
Check Price and Availability of 5491-0170, 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 5491-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5491-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5491-0170
  • 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 5491-0170 available by request