3660-0451 Screening compound: 7-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine

3660-0451 Screening compound: 7-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
3660-0451 Screening compound: 7-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3660-0451
7-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine

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

3660-0451

Molecular Formula

C19H20ClN5O3 (C19 H20 ClN5 O3)

Compound Name

7-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine

IUPAC name

7-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-4-nitro-213-benzoxadiazol-5-amine

SMILES

Cc(ccc(Nc(cc(c1nonc11)N2CCCCCC2)c1[N+]([O-])=O)c1)c1Cl

InChI

InChI=1S/C19H20ClN5O3/c1-12-6-7-13(10-14(12)20)21-15-11-16(24-8-4-2-3-5-9-24)17-18(23-28-22-17)19(15)25(26)27/h6-7,10-11,21H,2-5,8-9H2,1H3

InChI Key

PEIDBWFHDNNICI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02182450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.252

Distribution Coefficient, logD

7.252

Water Solubility, LogSw

-6.58

Polar Surface Area

81.576

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 3660-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3660-0451?
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What is the minimum amount of 3660-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3660-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3660-0451
  • 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 3660-0451 available by request