F848-0130 Screening compound: N-(4,6-dimethylpyrimidin-2-yl)-4-[5-(piperidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]butanamide

F848-0130 Screening compound: N-(4,6-dimethylpyrimidin-2-yl)-4-[5-(piperidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]butanamide
F848-0130 Screening compound: N-(4,6-dimethylpyrimidin-2-yl)-4-[5-(piperidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F848-0130
N-(4,6-dimethylpyrimidin-2-yl)-4-[5-(piperidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]butanamide

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

F848-0130

Molecular Formula

C21H27N7O3S (C21 H27 N7 O3 S)

Compound Name

N-(4,6-dimethylpyrimidin-2-yl)-4-[5-(piperidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]butanamide

IUPAC name

N-(46-dimethylpyrimidin-2-yl)-4-[5-(piperidine-1-sulfonyl)-1H-123-benzotriazol-1-yl]butanamide

SMILES

Cc1nc(NC(CCCn2nnc3c2ccc(S(N2CCCCC2)(=O)=O)c3)=O)nc(C)c1

InChI

InChI=1S/C21H27N7O3S/c1-15-13-16(2)23-21(22-15)24-20(29)7-6-12-28-19-9-8-17(14-18(19)25-26-28)32(30,31)27-10-4-3-5-11-27/h8-9,13-14H,3-7,10-12H2,1-2H3,(H,22,23,24,29)

InChI Key

PGKMDOUNQJRDJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27199499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.173

Distribution Coefficient, logD

1.169

Water Solubility, LogSw

-2.42

Polar Surface Area

99.821

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

F848-0130 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Immune system
  • animal
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F848-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F848-0130?
Check Price and Availability of F848-0130, 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 F848-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F848-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F848-0130
  • 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 F848-0130 available by request