D730-0088 Screening compound: 4-[4-(benzyloxy)phenyl]-1-(3-methylphenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione

D730-0088 Screening compound: 4-[4-(benzyloxy)phenyl]-1-(3-methylphenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
D730-0088 Screening compound: 4-[4-(benzyloxy)phenyl]-1-(3-methylphenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D730-0088
4-[4-(benzyloxy)phenyl]-1-(3-methylphenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione

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

D730-0088

Molecular Formula

C27H23NO4 (C27 H23 NO4)

Compound Name

4-[4-(benzyloxy)phenyl]-1-(3-methylphenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione

IUPAC name

4-[4-(benzyloxy)phenyl]-1-(3-methylphenyl)-1H2H3H4H5H7H-furo[34-b]pyridine-25-dione

SMILES

Cc1cccc(N(C(CO2)=C(C(C3)c(cc4)ccc4OCc4ccccc4)C2=O)C3=O)c1

InChI

InChI=1S/C27H23NO4/c1-18-6-5-9-21(14-18)28-24-17-32-27(30)26(24)23(15-25(28)29)20-10-12-22(13-11-20)31-16-19-7-3-2-4-8-19/h2-14,23H,15-17H2,1H3/t23-/m0/s1

InChI Key

MQAMOHFPHZXXQF-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD09659669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.48

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

4.402

Distribution Coefficient, logD

4.402

Water Solubility, LogSw

-4.59

Polar Surface Area

45.218

Acid Dissociation Constant (pKa)

17.87

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.52

D730-0088 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D730-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D730-0088?
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What is the minimum amount of D730-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D730-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D730-0088
  • 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 D730-0088 available by request