2188-1683 Screening compound: 2-amino-5-oxo-4-(propan-2-yl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile

2188-1683 Screening compound: 2-amino-5-oxo-4-(propan-2-yl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile
2188-1683 Screening compound: 2-amino-5-oxo-4-(propan-2-yl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-1683
2-amino-5-oxo-4-(propan-2-yl)-4H,5H-pyrano[3,2-c]chromene-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

2188-1683

Molecular Formula

C16H14N2O3 (C16 H14 N2 O3)

Compound Name

2-amino-5-oxo-4-(propan-2-yl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile

IUPAC name

2-amino-5-oxo-4-(propan-2-yl)-4H5H-pyrano[32-c]chromene-3-carbonitrile

SMILES

CC(C)C1C(C#N)=C(N)OC(c(cccc2)c2O2)=C1C2=O

InChI

InChI=1S/C16H14N2O3/c1-8(2)12-10(7-17)15(18)21-14-9-5-3-4-6-11(9)20-16(19)13(12)14/h3-6,8,12H,18H2,1-2H3/t12-/m1/s1

InChI Key

VJYKIYYCRDQCAM-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD01310037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.050

Distribution Coefficient, logD

2.050

Water Solubility, LogSw

-2.76

Polar Surface Area

67.971

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

2188-1683 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 2188-1683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-1683?
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What is the minimum amount of 2188-1683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-1683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-1683
  • 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 2188-1683 available by request