8018-5565 Screening compound: methyl 4-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)benzoate

8018-5565 Screening compound: methyl 4-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)benzoate
8018-5565 Screening compound: methyl 4-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5565
methyl 4-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)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

8018-5565

Molecular Formula

C19H20O5 (C19 H20 O5)

Compound Name

methyl 4-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)benzoate

IUPAC name

methyl 4-(67-dimethoxy-34-dihydro-1H-2-benzopyran-1-yl)benzoate

SMILES

COC(c1ccc(C2OCCc(cc3OC)c2cc3OC)cc1)=O

InChI

InChI=1S/C19H20O5/c1-21-16-10-14-8-9-24-18(15(14)11-17(16)22-2)12-4-6-13(7-5-12)19(20)23-3/h4-7,10-11,18H,8-9H2,1-3H3/t18-/m0/s1

InChI Key

RLTXJIRIDBCBKQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD07800518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.009

Distribution Coefficient, logD

3.009

Water Solubility, LogSw

-3.21

Polar Surface Area

44.792

Acid Dissociation Constant (pKa)

22.84

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

8018-5565 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-5565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5565?
Check Price and Availability of 8018-5565, 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 8018-5565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5565
  • 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 8018-5565 available by request