7954-3979 Screening compound: methyl 2-amino-4-(2,6-dichlorophenyl)-6-(hydroxymethyl)-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carboxylate

7954-3979 Screening compound: methyl 2-amino-4-(2,6-dichlorophenyl)-6-(hydroxymethyl)-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carboxylate
7954-3979 Screening compound: methyl 2-amino-4-(2,6-dichlorophenyl)-6-(hydroxymethyl)-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7954-3979
methyl 2-amino-4-(2,6-dichlorophenyl)-6-(hydroxymethyl)-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

7954-3979

Molecular Formula

C17H13Cl2NO6 (C17 H13 Cl2 NO6)

Compound Name

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

IUPAC name

methyl 2-amino-4-(26-dichlorophenyl)-6-(hydroxymethyl)-8-oxo-4H8H-pyrano[32-b]pyran-3-carboxylate

SMILES

COC(C(C1c(c(Cl)ccc2)c2Cl)=C(N)OC2=C1OC(CO)=CC2=O)=O

InChI

InChI=1S/C17H13Cl2NO6/c1-24-17(23)13-12(11-8(18)3-2-4-9(11)19)15-14(26-16(13)20)10(22)5-7(6-21)25-15/h2-5,12,21H,6,20H2,1H3/t12-/m1/s1

InChI Key

MTTQBZWFVUEGSE-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD05256871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.2

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.485

Distribution Coefficient, logD

1.485

Water Solubility, LogSw

-2.10

Polar Surface Area

90.827

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 7954-3979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7954-3979?
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What is the minimum amount of 7954-3979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7954-3979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7954-3979
  • 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 7954-3979 available by request