7649-0003 Screening compound: 1-[(3-butoxy-2-hydroxypropyl)(2-hydroxyethyl)amino]-3-(1H-indol-1-yl)propan-2-ol

7649-0003 Screening compound: 1-[(3-butoxy-2-hydroxypropyl)(2-hydroxyethyl)amino]-3-(1H-indol-1-yl)propan-2-ol
7649-0003 Screening compound: 1-[(3-butoxy-2-hydroxypropyl)(2-hydroxyethyl)amino]-3-(1H-indol-1-yl)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7649-0003
1-[(3-butoxy-2-hydroxypropyl)(2-hydroxyethyl)amino]-3-(1H-indol-1-yl)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

7649-0003

Molecular Formula

C20H32N2O4 (C20 H32 N2 O4)

Compound Name

1-[(3-butoxy-2-hydroxypropyl)(2-hydroxyethyl)amino]-3-(1H-indol-1-yl)propan-2-ol

IUPAC name

1-[(3-butoxy-2-hydroxypropyl)(2-hydroxyethyl)amino]-3-(1H-indol-1-yl)propan-2-ol

SMILES

CCCCOCC(CN(CCO)CC(Cn(cc1)c2c1cccc2)O)O

InChI

InChI=1S/C20H32N2O4/c1-2-3-12-26-16-19(25)14-21(10-11-23)13-18(24)15-22-9-8-17-6-4-5-7-20(17)22/h4-9,18-19,23-25H,2-3,10-16H2,1H3

InChI Key

SZGZECNJOSGQQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.073

Distribution Coefficient, logD

2.017

Water Solubility, LogSw

-1.96

Polar Surface Area

64.558

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

7649-0003 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 7649-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7649-0003?
Check Price and Availability of 7649-0003, 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 7649-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7649-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7649-0003
  • 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 7649-0003 available by request