7169-3747 Screening compound: butyl 3-{3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-amido}benzoate

7169-3747 Screening compound: butyl 3-{3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-amido}benzoate
7169-3747 Screening compound: butyl 3-{3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7169-3747
butyl 3-{3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-amido}benzoate

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

7169-3747

Molecular Formula

C21H23N3O3S (C21 H23 N3 O3 S)

Compound Name

butyl 3-{3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-amido}benzoate

IUPAC name

butyl 3-{3-amino-46-dimethylthieno[23-b]pyridine-2-amido}benzoate

SMILES

CCCCOC(c1cccc(NC(c(sc2nc(C)cc(C)c22)c2N)=O)c1)=O

InChI

InChI=1S/C21H23N3O3S/c1-4-5-9-27-21(26)14-7-6-8-15(11-14)24-19(25)18-17(22)16-12(2)10-13(3)23-20(16)28-18/h6-8,10-11H,4-5,9,22H2,1-3H3,(H,24,25)

InChI Key

UYKJLXHEJNMNOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05256474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.206

Distribution Coefficient, logD

5.206

Water Solubility, LogSw

-5.18

Polar Surface Area

73.291

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

7169-3747 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 7169-3747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7169-3747?
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What is the minimum amount of 7169-3747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7169-3747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7169-3747
  • 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 7169-3747 available by request