0726-0127 Screening compound: 4-(3-aminobenzoyloxy)phenyl 3-aminobenzoate

0726-0127 Screening compound: 4-(3-aminobenzoyloxy)phenyl 3-aminobenzoate
0726-0127 Screening compound: 4-(3-aminobenzoyloxy)phenyl 3-aminobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0726-0127
4-(3-aminobenzoyloxy)phenyl 3-aminobenzoate

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

0726-0127

Molecular Formula

C20H16N2O4 (C20 H16 N2 O4)

Compound Name

4-(3-aminobenzoyloxy)phenyl 3-aminobenzoate

IUPAC name

4-(3-aminobenzoyloxy)phenyl 3-aminobenzoate

SMILES

Nc1cccc(C(Oc(cc2)ccc2OC(c2cc(N)ccc2)=O)=O)c1

InChI

InChI=1S/C20H16N2O4/c21-15-5-1-3-13(11-15)19(23)25-17-7-9-18(10-8-17)26-20(24)14-4-2-6-16(22)12-14/h1-12H,21-22H2

InChI Key

SLROFZGOINZDQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00369559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.255

Distribution Coefficient, logD

2.255

Water Solubility, LogSw

-2.57

Polar Surface Area

82.606

Acid Dissociation Constant (pKa)

21.20

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0726-0127 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 0726-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0726-0127?
Check Price and Availability of 0726-0127, 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 0726-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0726-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0726-0127
  • 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 0726-0127 available by request