7954-4009 Screening compound: propan-2-yl 2-amino-6-(hydroxymethyl)-8-oxo-4-(pyridin-4-yl)-4H,8H-pyrano[3,2-b]pyran-3-carboxylate

7954-4009 Screening compound: propan-2-yl 2-amino-6-(hydroxymethyl)-8-oxo-4-(pyridin-4-yl)-4H,8H-pyrano[3,2-b]pyran-3-carboxylate
7954-4009 Screening compound: propan-2-yl 2-amino-6-(hydroxymethyl)-8-oxo-4-(pyridin-4-yl)-4H,8H-pyrano[3,2-b]pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7954-4009
propan-2-yl 2-amino-6-(hydroxymethyl)-8-oxo-4-(pyridin-4-yl)-4H,8H-pyrano[3,2-b]pyran-3-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

7954-4009

Molecular Formula

C18H18N2O6 (C18 H18 N2 O6)

Compound Name

propan-2-yl 2-amino-6-(hydroxymethyl)-8-oxo-4-(pyridin-4-yl)-4H,8H-pyrano[3,2-b]pyran-3-carboxylate

IUPAC name

propan-2-yl 2-amino-6-(hydroxymethyl)-8-oxo-4-(pyridin-4-yl)-4H8H-pyrano[32-b]pyran-3-carboxylate

SMILES

CC(C)OC(C(C1c2ccncc2)=C(N)OC2=C1OC(CO)=CC2=O)=O

InChI

InChI=1S/C18H18N2O6/c1-9(2)24-18(23)14-13(10-3-5-20-6-4-10)16-15(26-17(14)19)12(22)7-11(8-21)25-16/h3-7,9,13,21H,8,19H2,1-2H3/t13-/m1/s1

InChI Key

VDTRBFAYGCXACE-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD05256863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.633

Distribution Coefficient, logD

0.633

Water Solubility, LogSw

-0.86

Polar Surface Area

99.514

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with 7954-4009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7954-4009?
Check Price and Availability of 7954-4009, 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 7954-4009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7954-4009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7954-4009
  • 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 7954-4009 available by request