7954-4007 Screening compound: methyl 2-amino-6-(hydroxymethyl)-4-[4-(methoxycarbonyl)phenyl]-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carboxylate

7954-4007 Screening compound: methyl 2-amino-6-(hydroxymethyl)-4-[4-(methoxycarbonyl)phenyl]-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carboxylate
7954-4007 Screening compound: methyl 2-amino-6-(hydroxymethyl)-4-[4-(methoxycarbonyl)phenyl]-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7954-4007
methyl 2-amino-6-(hydroxymethyl)-4-[4-(methoxycarbonyl)phenyl]-8-oxo-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

7954-4007

Molecular Formula

C19H17NO8 (C19 H17 NO8)

Compound Name

methyl 2-amino-6-(hydroxymethyl)-4-[4-(methoxycarbonyl)phenyl]-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carboxylate

IUPAC name

methyl 2-amino-6-(hydroxymethyl)-4-[4-(methoxycarbonyl)phenyl]-8-oxo-4H8H-pyrano[32-b]pyran-3-carboxylate

SMILES

COC(C(C1c(cc2)ccc2C(OC)=O)=C(N)OC2=C1OC(CO)=CC2=O)=O

InChI

InChI=1S/C19H17NO8/c1-25-18(23)10-5-3-9(4-6-10)13-14(19(24)26-2)17(20)28-15-12(22)7-11(8-21)27-16(13)15/h3-7,13,21H,8,20H2,1-2H3/t13-/m1/s1

InChI Key

FEMRNRZZFXQOSF-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD05257521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.35

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.996

Distribution Coefficient, logD

0.996

Water Solubility, LogSw

-1.69

Polar Surface Area

112.001

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 7954-4007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7954-4007?
Check Price and Availability of 7954-4007, 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 7954-4007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7954-4007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7954-4007
  • 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 7954-4007 available by request