8016-9473 Screening compound: methyl 6-acetyl-3-amino-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxylate

8016-9473 Screening compound: methyl 6-acetyl-3-amino-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxylate
8016-9473 Screening compound: methyl 6-acetyl-3-amino-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9473
methyl 6-acetyl-3-amino-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-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

8016-9473

Molecular Formula

C15H14F3N3O3S (C15 H14 F3 N3 O3 S)

Compound Name

methyl 6-acetyl-3-amino-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxylate

IUPAC name

methyl 6-acetyl-3-amino-4-(trifluoromethyl)-5H6H7H8H-thieno[23-b]16-naphthyridine-2-carboxylate

SMILES

CC(N(CC1)Cc(c(C(F)(F)F)c23)c1nc2sc(C(OC)=O)c3N)=O

InChI

InChI=1S/C15H14F3N3O3S/c1-6(22)21-4-3-8-7(5-21)10(15(16,17)18)9-11(19)12(14(23)24-2)25-13(9)20-8/h3-5,19H2,1-2H3

InChI Key

XLXMGNLPGGFHSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.130

Distribution Coefficient, logD

2.129

Water Solubility, LogSw

-2.15

Polar Surface Area

69.069

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 8016-9473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9473?
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What is the minimum amount of 8016-9473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9473
  • 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 8016-9473 available by request