8014-2229 Screening compound: 1-(4-aminophenyl)-1,2,3-propanetriol

8014-2229 Screening compound: 1-(4-aminophenyl)-1,2,3-propanetriol
8014-2229 Screening compound: 1-(4-aminophenyl)-1,2,3-propanetriol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2229
1-(4-aminophenyl)-1,2,3-propanetriol

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

8014-2229

Molecular Formula

C9H13NO3 (C9 H13 NO3)

Compound Name

1-(4-aminophenyl)-1,2,3-propanetriol

IUPAC name

1-(4-aminophenyl)propane-123-triol

SMILES

Nc1ccc(C(C(CO)O)O)cc1

InChI

InChI=1S/C9H13NO3/c10-7-3-1-6(2-4-7)9(13)8(12)5-11/h1-4,8-9,11-13H,5,10H2

InChI Key

KKWRDXHQCFVSDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

183.21

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.904

Distribution Coefficient, logD

-0.905

Water Solubility, LogSw

-0.73

Polar Surface Area

69.996

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

8014-2229 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8014-2229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2229?
Check Price and Availability of 8014-2229, 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 8014-2229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2229
  • 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 8014-2229 available by request