4061-0041 Screening compound: N6-(2-chlorophenyl)-N4,N4-diethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine

4061-0041 Screening compound: N6-(2-chlorophenyl)-N4,N4-diethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
4061-0041 Screening compound: N6-(2-chlorophenyl)-N4,N4-diethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4061-0041
N6-(2-chlorophenyl)-N4,N4-diethyl-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

4061-0041

Molecular Formula

C16H16ClN5O3 (C16 H16 ClN5 O3)

Compound Name

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

IUPAC name

N6-(2-chlorophenyl)-N4N4-diethyl-7-nitro-213-benzoxadiazole-46-diamine

SMILES

CCN(CC)c(c1nonc11)cc(Nc(cccc2)c2Cl)c1[N+]([O-])=O

InChI

InChI=1S/C16H16ClN5O3/c1-3-21(4-2)13-9-12(18-11-8-6-5-7-10(11)17)16(22(23)24)15-14(13)19-25-20-15/h5-9,18H,3-4H2,1-2H3

InChI Key

PGSFOJRGIRHXGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01956654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.278

Distribution Coefficient, logD

5.278

Water Solubility, LogSw

-5.95

Polar Surface Area

79.830

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4061-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4061-0041?
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What is the minimum amount of 4061-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4061-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4061-0041
  • 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 4061-0041 available by request