2713-0027 Screening compound: 4-[(3,4,5-trihydroxyoxan-2-yl)amino]benzoic acid

2713-0027 Screening compound: 4-[(3,4,5-trihydroxyoxan-2-yl)amino]benzoic acid
2713-0027 Screening compound: 4-[(3,4,5-trihydroxyoxan-2-yl)amino]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2713-0027
4-[(3,4,5-trihydroxyoxan-2-yl)amino]benzoic acid

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

2713-0027

Molecular Formula

C12H15NO6 (C12 H15 NO6)

Compound Name

4-[(3,4,5-trihydroxyoxan-2-yl)amino]benzoic acid

IUPAC name

4-[(345-trihydroxyoxan-2-yl)amino]benzoic acid

SMILES

OC(COC(C1O)Nc(cc2)ccc2C(O)=O)C1O

InChI

InChI=1S/C12H15NO6/c14-8-5-19-11(10(16)9(8)15)13-7-3-1-6(2-4-7)12(17)18/h1-4,8-11,13-16H,5H2,(H,17,18)

InChI Key

HLDUHCYBUVVDOT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.098

Distribution Coefficient, logD

-2.494

Water Solubility, LogSw

-1.37

Polar Surface Area

94.844

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with 2713-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2713-0027?
Check Price and Availability of 2713-0027, 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 2713-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2713-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2713-0027
  • 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 2713-0027 available by request