4061-0031 Screening compound: N-(2,5-dichlorophenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine

4061-0031 Screening compound: N-(2,5-dichlorophenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
4061-0031 Screening compound: N-(2,5-dichlorophenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4061-0031
N-(2,5-dichlorophenyl)-7-(morpholin-4-yl)-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

4061-0031

Molecular Formula

C16H13Cl2N5O4 (C16 H13 Cl2 N5 O4)

Compound Name

N-(2,5-dichlorophenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine

IUPAC name

N-(25-dichlorophenyl)-7-(morpholin-4-yl)-4-nitro-213-benzoxadiazol-5-amine

SMILES

[O-][N+](c(c1nonc1c(N1CCOCC1)c1)c1Nc(cc(cc1)Cl)c1Cl)=O

InChI

InChI=1S/C16H13Cl2N5O4/c17-9-1-2-10(18)11(7-9)19-12-8-13(22-3-5-26-6-4-22)14-15(21-27-20-14)16(12)23(24)25/h1-2,7-8,19H,3-6H2

InChI Key

HNYJOIKURITRGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02070762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.272

Distribution Coefficient, logD

5.272

Water Solubility, LogSw

-5.94

Polar Surface Area

88.455

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

-4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4061-0031 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4061-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4061-0031?
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What is the minimum amount of 4061-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4061-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4061-0031
  • 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 4061-0031 available by request