7888-0201 Screening compound: N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide

7888-0201 Screening compound: N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
7888-0201 Screening compound: N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7888-0201
N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide

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

7888-0201

Molecular Formula

C26H26N6O4 (C26 H26 N6 O4)

Compound Name

N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide

IUPAC name

N-[2-(4-methoxyphenyl)-2H-123-benzotriazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide

SMILES

CC(CC1)CCN1c(ccc(C(Nc1cc2nn(-c(cc3)ccc3OC)nc2cc1)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C26H26N6O4/c1-17-11-13-30(14-12-17)24-10-3-18(15-25(24)32(34)35)26(33)27-19-4-9-22-23(16-19)29-31(28-22)20-5-7-21(36-2)8-6-20/h3-10,15-17H,11-14H2,1-2H3,(H,27,33)

InChI Key

KZSYNGZIIGKDDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07086593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.389

Distribution Coefficient, logD

5.146

Water Solubility, LogSw

-5.41

Polar Surface Area

91.140

Acid Dissociation Constant (pKa)

7.52

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

7888-0201 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 7888-0201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7888-0201?
Check Price and Availability of 7888-0201, 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 7888-0201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7888-0201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7888-0201
  • 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 7888-0201 available by request