8002-9889 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 2,4-dichloro-5-(morpholine-4-sulfonyl)benzoate

8002-9889 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 2,4-dichloro-5-(morpholine-4-sulfonyl)benzoate
8002-9889 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 2,4-dichloro-5-(morpholine-4-sulfonyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-9889
2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 2,4-dichloro-5-(morpholine-4-sulfonyl)benzoate

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

8002-9889

Molecular Formula

C24H20Cl2N4O5S (C24 H20 Cl2 N4 O5 S)

Compound Name

2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 2,4-dichloro-5-(morpholine-4-sulfonyl)benzoate

IUPAC name

2-(2H-123-benzotriazol-2-yl)-4-methylphenyl 24-dichloro-5-(morpholine-4-sulfonyl)benzoate

SMILES

Cc(cc1)cc(-n2nc(cccc3)c3n2)c1OC(c(c(Cl)c1)cc(S(N2CCOCC2)(=O)=O)c1Cl)=O

InChI

InChI=1S/C24H20Cl2N4O5S/c1-15-6-7-22(21(12-15)30-27-19-4-2-3-5-20(19)28-30)35-24(31)16-13-23(18(26)14-17(16)25)36(32,33)29-8-10-34-11-9-29/h2-7,12-14H,8-11H2,1H3

InChI Key

CIVQJZBPUHQHRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00733563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.412

Distribution Coefficient, logD

5.412

Water Solubility, LogSw

-5.99

Polar Surface Area

84.056

Acid Dissociation Constant (pKa)

27.89

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

8002-9889 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8002-9889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-9889?
Check Price and Availability of 8002-9889, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8002-9889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9889
  • 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 8002-9889 available by request