3660-0488 Screening compound: N6-(4-chlorophenyl)-N4-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine

3660-0488 Screening compound: N6-(4-chlorophenyl)-N4-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
3660-0488 Screening compound: N6-(4-chlorophenyl)-N4-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3660-0488
N6-(4-chlorophenyl)-N4-ethyl-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

3660-0488

Molecular Formula

C14H12ClN5O3 (C14 H12 ClN5 O3)

Compound Name

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

IUPAC name

N6-(4-chlorophenyl)-N4-ethyl-7-nitro-213-benzoxadiazole-46-diamine

SMILES

CCNc(c1nonc11)cc(Nc(cc2)ccc2Cl)c1[N+]([O-])=O

InChI

InChI=1S/C14H12ClN5O3/c1-2-16-10-7-11(17-9-5-3-8(15)4-6-9)14(20(21)22)13-12(10)18-23-19-13/h3-7,16-17H,2H2,1H3

InChI Key

WPTQSOQYNTZYCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03603597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.73

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.696

Distribution Coefficient, logD

4.696

Water Solubility, LogSw

-4.88

Polar Surface Area

87.527

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

-4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3660-0488 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 3660-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3660-0488?
Check Price and Availability of 3660-0488, 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 3660-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3660-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3660-0488
  • 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 3660-0488 available by request