3660-0459 Screening compound: N6-(4-methoxyphenyl)-N4,N4-dimethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine

3660-0459 Screening compound: N6-(4-methoxyphenyl)-N4,N4-dimethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
3660-0459 Screening compound: N6-(4-methoxyphenyl)-N4,N4-dimethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3660-0459
N6-(4-methoxyphenyl)-N4,N4-dimethyl-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

3660-0459

Molecular Formula

C15H15N5O4 (C15 H15 N5 O4)

Compound Name

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

IUPAC name

N6-(4-methoxyphenyl)-N4N4-dimethyl-7-nitro-213-benzoxadiazole-46-diamine

SMILES

CN(C)c(c1nonc11)cc(Nc(cc2)ccc2OC)c1[N+]([O-])=O

InChI

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

InChI Key

PQNBJDXQHJFYFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02182452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.551

Distribution Coefficient, logD

4.551

Water Solubility, LogSw

-4.48

Polar Surface Area

88.141

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

-4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3660-0459 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 3660-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3660-0459?
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What is the minimum amount of 3660-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3660-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3660-0459
  • 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 3660-0459 available by request