8017-3834 Screening compound: 3-amino-6-(propan-2-yl)-N-[4-(trifluoromethoxy)phenyl]-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridine-2-carboxamide

8017-3834 Screening compound: 3-amino-6-(propan-2-yl)-N-[4-(trifluoromethoxy)phenyl]-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridine-2-carboxamide
8017-3834 Screening compound: 3-amino-6-(propan-2-yl)-N-[4-(trifluoromethoxy)phenyl]-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3834
3-amino-6-(propan-2-yl)-N-[4-(trifluoromethoxy)phenyl]-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridine-2-carboxamide

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

8017-3834

Molecular Formula

C21H21F3N4O2S (C21 H21 F3 N4 O2 S)

Compound Name

3-amino-6-(propan-2-yl)-N-[4-(trifluoromethoxy)phenyl]-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridine-2-carboxamide

IUPAC name

3-amino-6-(propan-2-yl)-N-[4-(trifluoromethoxy)phenyl]-5H6H7H8H-thieno[23-b]16-naphthyridine-2-carboxamide

SMILES

CC(C)N(CC1)Cc(cc23)c1nc2sc(C(Nc(cc1)ccc1OC(F)(F)F)=O)c3N

InChI

InChI=1S/C21H21F3N4O2S/c1-11(2)28-8-7-16-12(10-28)9-15-17(25)18(31-20(15)27-16)19(29)26-13-3-5-14(6-4-13)30-21(22,23)24/h3-6,9,11H,7-8,10,25H2,1-2H3,(H,26,29)

InChI Key

WVLDIMFIMYLTJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.862

Distribution Coefficient, logD

4.556

Water Solubility, LogSw

-4.77

Polar Surface Area

63.592

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

7.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8017-3834 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8017-3834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3834?
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What is the minimum amount of 8017-3834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3834
  • 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 8017-3834 available by request