F048-0768 Screening compound: N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-1-[(5-chlorothiophen-2-yl)sulfonyl]piperidine-4-carboxamide

F048-0768 Screening compound: N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-1-[(5-chlorothiophen-2-yl)sulfonyl]piperidine-4-carboxamide
F048-0768 Screening compound: N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-1-[(5-chlorothiophen-2-yl)sulfonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F048-0768
N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-1-[(5-chlorothiophen-2-yl)sulfonyl]piperidine-4-carboxamide

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

F048-0768

Molecular Formula

C23H25ClN4O3S3 (C23 H25 ClN4 O3 S3)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CC1)CCN1S(c(s1)ccc1Cl)(=O)=O)Nc1nc(CCN(Cc2ccccc2)C2)c2s1

InChI

InChI=1S/C23H25ClN4O3S3/c24-20-6-7-21(33-20)34(30,31)28-12-8-17(9-13-28)22(29)26-23-25-18-10-11-27(15-19(18)32-23)14-16-4-2-1-3-5-16/h1-7,17H,8-15H2,(H,25,26,29)

InChI Key

HTMAZHXYKXBGMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11986360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.13

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

4.239

Distribution Coefficient, logD

4.239

Water Solubility, LogSw

-4.42

Polar Surface Area

71.001

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

F048-0768 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F048-0768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F048-0768?
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What is the minimum amount of F048-0768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F048-0768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F048-0768
  • 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 F048-0768 available by request