F048-0657 Screening compound: N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-4-butoxybenzamide

F048-0657 Screening compound: N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-4-butoxybenzamide
F048-0657 Screening compound: N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-4-butoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F048-0657
N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-4-butoxybenzamide

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

F048-0657

Molecular Formula

C24H27N3O2S (C24 H27 N3 O2 S)

Compound Name

N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-4-butoxybenzamide

IUPAC name

N-{5-benzyl-4H5H6H7H-[13]thiazolo[54-c]pyridin-2-yl}-4-butoxybenzamide

SMILES

CCCCOc(cc1)ccc1C(Nc1nc(CCN(Cc2ccccc2)C2)c2s1)=O

InChI

InChI=1S/C24H27N3O2S/c1-2-3-15-29-20-11-9-19(10-12-20)23(28)26-24-25-21-13-14-27(17-22(21)30-24)16-18-7-5-4-6-8-18/h4-12H,2-3,13-17H2,1H3,(H,25,26,28)

InChI Key

LFKLRRHEIXMNIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06585628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.486

Distribution Coefficient, logD

5.486

Water Solubility, LogSw

-5.26

Polar Surface Area

45.689

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F048-0657 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F048-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F048-0657?
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What is the minimum amount of F048-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F048-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F048-0657
  • 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 F048-0657 available by request