D731-0170 Screening compound: methyl 4,5-dimethoxy-2-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-amido)benzoate

D731-0170 Screening compound: methyl 4,5-dimethoxy-2-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-amido)benzoate
D731-0170 Screening compound: methyl 4,5-dimethoxy-2-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0170
methyl 4,5-dimethoxy-2-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-amido)benzoate

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

D731-0170

Molecular Formula

C20H19NO7 (C20 H19 NO7)

Compound Name

methyl 4,5-dimethoxy-2-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-amido)benzoate

IUPAC name

methyl 45-dimethoxy-2-(1-oxo-34-dihydro-1H-2-benzopyran-3-amido)benzoate

SMILES

COC(c(cc(c(OC)c1)OC)c1NC(C(Cc1c2cccc1)OC2=O)=O)=O

InChI

InChI=1S/C20H19NO7/c1-25-15-9-13(19(23)27-3)14(10-16(15)26-2)21-18(22)17-8-11-6-4-5-7-12(11)20(24)28-17/h4-7,9-10,17H,8H2,1-3H3,(H,21,22)/t17-/m0/s1

InChI Key

LSRQREVBQQFUDK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD05885074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.486

Distribution Coefficient, logD

1.877

Water Solubility, LogSw

-3.12

Polar Surface Area

79.891

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D731-0170 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D731-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0170?
Check Price and Availability of D731-0170, 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 D731-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0170
  • 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 D731-0170 available by request