3660-0472 Screening compound: N6-{[1,1'-biphenyl]-4-yl}-N4-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine

3660-0472 Screening compound: N6-{[1,1'-biphenyl]-4-yl}-N4-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
3660-0472 Screening compound: N6-{[1,1'-biphenyl]-4-yl}-N4-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3660-0472
N6-{[1,1'-biphenyl]-4-yl}-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

3660-0472

Molecular Formula

C20H17N5O3 (C20 H17 N5 O3)

Compound Name

N6-{[1,1'-biphenyl]-4-yl}-N4-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine

IUPAC name

N6-{[11'-biphenyl]-4-yl}-N4-ethyl-7-nitro-213-benzoxadiazole-46-diamine

SMILES

CCNc(c1nonc11)cc(Nc(cc2)ccc2-c2ccccc2)c1[N+]([O-])=O

InChI

InChI=1S/C20H17N5O3/c1-2-21-16-12-17(20(25(26)27)19-18(16)23-28-24-19)22-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,21-22H,2H2,1H3

InChI Key

AIZVYRGLODPKTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03603586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.820

Distribution Coefficient, logD

5.820

Water Solubility, LogSw

-5.67

Polar Surface Area

87.255

Acid Dissociation Constant (pKa)

15.56

Base Dissociation Constant (pKb)

-4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 3660-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3660-0472?
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What is the minimum amount of 3660-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3660-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3660-0472
  • 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 3660-0472 available by request