F048-0090 Screening compound: 3,4,5-triethoxy-N-{5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}benzamide

F048-0090 Screening compound: 3,4,5-triethoxy-N-{5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}benzamide
F048-0090 Screening compound: 3,4,5-triethoxy-N-{5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F048-0090
3,4,5-triethoxy-N-{5-methyl-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

F048-0090

Molecular Formula

C20H27N3O4S (C20 H27 N3 O4 S)

Compound Name

3,4,5-triethoxy-N-{5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}benzamide

IUPAC name

345-triethoxy-N-{5-methyl-4H5H6H7H-[13]thiazolo[54-c]pyridin-2-yl}benzamide

SMILES

CCOc1cc(C(Nc2nc(CCN(C)C3)c3s2)=O)cc(OCC)c1OCC

InChI

InChI=1S/C20H27N3O4S/c1-5-25-15-10-13(11-16(26-6-2)18(15)27-7-3)19(24)22-20-21-14-8-9-23(4)12-17(14)28-20/h10-11H,5-9,12H2,1-4H3,(H,21,22,24)

InChI Key

CZQWGXDOFOSUFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08499265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.053

Distribution Coefficient, logD

1.631

Water Solubility, LogSw

-3.36

Polar Surface Area

59.925

Acid Dissociation Constant (pKa)

8.12

Base Dissociation Constant (pKb)

8.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F048-0090 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 F048-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F048-0090?
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What is the minimum amount of F048-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F048-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F048-0090
  • 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 F048-0090 available by request