Y507-1846 Screening compound: diethyl 5-aminoisophthalate

Y507-1846 Screening compound: diethyl 5-aminoisophthalate
Y507-1846 Screening compound: diethyl 5-aminoisophthalate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y507-1846
diethyl 5-aminoisophthalate

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

Y507-1846

Molecular Formula

C12H15NO4 (C12 H15 NO4)

Compound Name

diethyl 5-aminoisophthalate

IUPAC name

n/a

SMILES

CCOC(c1cc(C(OCC)=O)cc(N)c1)=O

InChI

InChI=1S/C12H15NO4/c1-3-16-11(14)8-5-9(7-10(13)6-8)12(15)17-4-2/h5-7H,3-4,13H2,1-2H3

InChI Key

VQRVPAXIXNQFHI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.594

Distribution Coefficient, logD

2.594

Water Solubility, LogSw

-2.65

Polar Surface Area

62.552

Acid Dissociation Constant (pKa)

21.26

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with Y507-1846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y507-1846?
Check Price and Availability of Y507-1846, 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 Y507-1846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y507-1846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y507-1846
  • 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 Y507-1846 available by request