F048-0670 Screening compound: 4-(azepane-1-sulfonyl)-N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}benzamide

F048-0670 Screening compound: 4-(azepane-1-sulfonyl)-N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}benzamide
F048-0670 Screening compound: 4-(azepane-1-sulfonyl)-N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F048-0670
4-(azepane-1-sulfonyl)-N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-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

F048-0670

Molecular Formula

C26H30N4O3S2 (C26 H30 N4 O3 S2)

Compound Name

4-(azepane-1-sulfonyl)-N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}benzamide

IUPAC name

4-(azepane-1-sulfonyl)-N-{5-benzyl-4H5H6H7H-[13]thiazolo[54-c]pyridin-2-yl}benzamide

SMILES

O=C(c(cc1)ccc1S(N1CCCCCC1)(=O)=O)Nc1nc(CCN(Cc2ccccc2)C2)c2s1

InChI

InChI=1S/C26H30N4O3S2/c31-25(21-10-12-22(13-11-21)35(32,33)30-15-6-1-2-7-16-30)28-26-27-23-14-17-29(19-24(23)34-26)18-20-8-4-3-5-9-20/h3-5,8-13H,1-2,6-7,14-19H2,(H,27,28,31)

InChI Key

HOUYIVXEAOGMQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06328445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.647

Distribution Coefficient, logD

4.647

Water Solubility, LogSw

-4.51

Polar Surface Area

70.313

Acid Dissociation Constant (pKa)

6.10

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

F048-0670 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F048-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F048-0670?
Check Price and Availability of F048-0670, 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 F048-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F048-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F048-0670
  • 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 F048-0670 available by request