8006-2539 Screening compound: methyl 2-amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

8006-2539 Screening compound: methyl 2-amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
8006-2539 Screening compound: methyl 2-amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2539
methyl 2-amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-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

8006-2539

Molecular Formula

C17H16ClNO4 (C17 H16 ClNO4)

Compound Name

methyl 2-amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

IUPAC name

methyl 2-amino-4-(4-chlorophenyl)-5-oxo-5678-tetrahydro-4H-chromene-3-carboxylate

SMILES

COC(C(C1c(cc2)ccc2Cl)=C(N)OC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C17H16ClNO4/c1-22-17(21)15-13(9-5-7-10(18)8-6-9)14-11(20)3-2-4-12(14)23-16(15)19/h5-8,13H,2-4,19H2,1H3/t13-/m1/s1

InChI Key

LXOSCEKXMYMLRW-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD00824331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.445

Distribution Coefficient, logD

2.445

Water Solubility, LogSw

-3.34

Polar Surface Area

63.720

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 8006-2539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2539?
Check Price and Availability of 8006-2539, 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 8006-2539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2539
  • 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 8006-2539 available by request