8003-0439 Screening compound: (8E)-2-amino-6-(propan-2-yl)-4-(thiophen-2-yl)-8-[(thiophen-2-yl)methylidene]-4H,5H,6H,7H,8H-pyrano[3,2-c]pyridine-3-carbonitrile

8003-0439 Screening compound: (8E)-2-amino-6-(propan-2-yl)-4-(thiophen-2-yl)-8-[(thiophen-2-yl)methylidene]-4H,5H,6H,7H,8H-pyrano[3,2-c]pyridine-3-carbonitrile
8003-0439 Screening compound: (8E)-2-amino-6-(propan-2-yl)-4-(thiophen-2-yl)-8-[(thiophen-2-yl)methylidene]-4H,5H,6H,7H,8H-pyrano[3,2-c]pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0439
(8E)-2-amino-6-(propan-2-yl)-4-(thiophen-2-yl)-8-[(thiophen-2-yl)methylidene]-4H,5H,6H,7H,8H-pyrano[3,2-c]pyridine-3-carbonitrile

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

8003-0439

Molecular Formula

C21H21N3OS2 (C21 H21 N3 OS2)

Compound Name

(8E)-2-amino-6-(propan-2-yl)-4-(thiophen-2-yl)-8-[(thiophen-2-yl)methylidene]-4H,5H,6H,7H,8H-pyrano[3,2-c]pyridine-3-carbonitrile

IUPAC name

(8E)-2-amino-6-(propan-2-yl)-4-(thiophen-2-yl)-8-[(thiophen-2-yl)methylidene]-4H5H6H7H8H-pyrano[32-c]pyridine-3-carbonitrile

SMILES

CC(C)N(CC(C1c2cccs2)=C2OC(N)=C1C#N)C/C2=C\c1cccs1

InChI

InChI=1S/C21H21N3OS2/c1-13(2)24-11-14(9-15-5-3-7-26-15)20-17(12-24)19(18-6-4-8-27-18)16(10-22)21(23)25-20/h3-9,13,19H,11-12,23H2,1-2H3/t19-/m0/s1

InChI Key

ZEJBNUDWAVNNER-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00742784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.527

Distribution Coefficient, logD

3.527

Water Solubility, LogSw

-3.85

Polar Surface Area

52.466

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 8003-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0439?
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What is the minimum amount of 8003-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0439
  • 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 8003-0439 available by request