4476-2323 Screening compound: methyl 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

4476-2323 Screening compound: methyl 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
4476-2323 Screening compound: methyl 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-2323
methyl 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

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

4476-2323

Molecular Formula

C16H11F3N2O2S (C16 H11 F3 N2 O2 S)

Compound Name

methyl 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

IUPAC name

methyl 3-amino-6-phenyl-4-(trifluoromethyl)thieno[23-b]pyridine-2-carboxylate

SMILES

COC(c(sc1nc(-c2ccccc2)cc(C(F)(F)F)c11)c1N)=O

InChI

InChI=1S/C16H11F3N2O2S/c1-23-15(22)13-12(20)11-9(16(17,18)19)7-10(21-14(11)24-13)8-5-3-2-4-6-8/h2-7H,20H2,1H3

InChI Key

RXXFFXYTDCKZKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01085749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.824

Distribution Coefficient, logD

4.823

Water Solubility, LogSw

-5.06

Polar Surface Area

50.247

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4476-2323 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4476-2323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-2323?
Check Price and Availability of 4476-2323, 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 4476-2323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-2323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-2323
  • 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 4476-2323 available by request