3660-0487 Screening compound: N4-ethyl-N6-(2-methoxyphenyl)-7-nitro-2,1,3-benzoxadiazole-4,6-diamine

3660-0487 Screening compound: N4-ethyl-N6-(2-methoxyphenyl)-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
3660-0487 Screening compound: N4-ethyl-N6-(2-methoxyphenyl)-7-nitro-2,1,3-benzoxadiazole-4,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3660-0487
N4-ethyl-N6-(2-methoxyphenyl)-7-nitro-2,1,3-benzoxadiazole-4,6-diamine

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

3660-0487

Molecular Formula

C15H15N5O4 (C15 H15 N5 O4)

Compound Name

N4-ethyl-N6-(2-methoxyphenyl)-7-nitro-2,1,3-benzoxadiazole-4,6-diamine

IUPAC name

N4-ethyl-N6-(2-methoxyphenyl)-7-nitro-213-benzoxadiazole-46-diamine

SMILES

CCNc(c1nonc11)cc(Nc(cccc2)c2OC)c1[N+]([O-])=O

InChI

InChI=1S/C15H15N5O4/c1-3-16-10-8-11(17-9-6-4-5-7-12(9)23-2)15(20(21)22)14-13(10)18-24-19-14/h4-8,16-17H,3H2,1-2H3

InChI Key

JKHIMDOLVSIADJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03603596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.061

Distribution Coefficient, logD

4.061

Water Solubility, LogSw

-4.30

Polar Surface Area

94.460

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

-4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3660-0487 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 3660-0487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3660-0487?
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What is the minimum amount of 3660-0487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3660-0487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3660-0487
  • 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 3660-0487 available by request