3660-0392 Screening compound: ethyl 4-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate

3660-0392 Screening compound: ethyl 4-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate
3660-0392 Screening compound: ethyl 4-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3660-0392
ethyl 4-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate

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

3660-0392

Molecular Formula

C15H12N4O5 (C15 H12 N4 O5)

Compound Name

ethyl 4-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate

IUPAC name

ethyl 4-[(5-nitro-213-benzoxadiazol-4-yl)amino]benzoate

SMILES

CCOC(c(cc1)ccc1Nc(c1nonc1cc1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C15H12N4O5/c1-2-23-15(20)9-3-5-10(6-4-9)16-14-12(19(21)22)8-7-11-13(14)18-24-17-11/h3-8,16H,2H2,1H3

InChI Key

BHXXXVOFRFIRMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.28

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.936

Distribution Coefficient, logD

3.936

Water Solubility, LogSw

-4.13

Polar Surface Area

97.679

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

-4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 3660-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3660-0392?
Check Price and Availability of 3660-0392, 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 3660-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3660-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3660-0392
  • 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 3660-0392 available by request