7888-0624 Screening compound: 4-(4-methylpiperidin-1-yl)-3-nitro-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)benzamide

7888-0624 Screening compound: 4-(4-methylpiperidin-1-yl)-3-nitro-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)benzamide
7888-0624 Screening compound: 4-(4-methylpiperidin-1-yl)-3-nitro-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7888-0624
4-(4-methylpiperidin-1-yl)-3-nitro-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)benzamide

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

7888-0624

Molecular Formula

C25H24N6O3 (C25 H24 N6 O3)

Compound Name

4-(4-methylpiperidin-1-yl)-3-nitro-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)benzamide

IUPAC name

4-(4-methylpiperidin-1-yl)-3-nitro-N-(2-phenyl-2H-123-benzotriazol-5-yl)benzamide

SMILES

CC(CC1)CCN1c(ccc(C(Nc1cc2nn(-c3ccccc3)nc2cc1)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C25H24N6O3/c1-17-11-13-29(14-12-17)23-10-7-18(15-24(23)31(33)34)25(32)26-19-8-9-21-22(16-19)28-30(27-21)20-5-3-2-4-6-20/h2-10,15-17H,11-14H2,1H3,(H,26,32)

InChI Key

IYCUUOALDJSHNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07086987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.286

Distribution Coefficient, logD

5.042

Water Solubility, LogSw

-5.33

Polar Surface Area

83.596

Acid Dissociation Constant (pKa)

7.52

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

7888-0624 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 7888-0624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7888-0624?
Check Price and Availability of 7888-0624, 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 7888-0624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7888-0624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7888-0624
  • 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 7888-0624 available by request