Y508-1007 Screening compound: (3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis-5-methyl-2-(propan-2-yl)benzene-4,1-diyl dibiphenyl-4-carboxylate

Y508-1007 Screening compound: (3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis-5-methyl-2-(propan-2-yl)benzene-4,1-diyl dibiphenyl-4-carboxylate
Y508-1007 Screening compound: (3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis-5-methyl-2-(propan-2-yl)benzene-4,1-diyl dibiphenyl-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-1007
(3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis-5-methyl-2-(propan-2-yl)benzene-4,1-diyl dibiphenyl-4-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

Y508-1007

Molecular Formula

C54H46O6 (C54 H46 O6)

Compound Name

(3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis-5-methyl-2-(propan-2-yl)benzene-4,1-diyl dibiphenyl-4-carboxylate

IUPAC name

n/a

SMILES

CC(C)c1cc(C(c2c3cccc2)(c(cc2C(C)C)c(C)cc2OC(c(cc2)ccc2-c2ccccc2)=O)OC3=O)c(C)cc1OC(c(cc1)ccc1-c1ccccc1)=O

InChI

InChI=1S/C54H46O6/c1-33(2)44-31-47(35(5)29-49(44)58-51(55)41-25-21-39(22-26-41)37-15-9-7-10-16-37)54(46-20-14-13-19-43(46)53(57)60-54)48-32-45(34(3)4)50(30-36(48)6)59-52(56)42-27-23-40(24-28-42)38-17-11-8-12-18-38/h7-34H,1-6H3

InChI Key

ZIBFLFSACAGLJK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

790.96

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

13.459

Distribution Coefficient, logD

13.459

Water Solubility, LogSw

-5.82

Polar Surface Area

61.136

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with Y508-1007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-1007?
Check Price and Availability of Y508-1007, 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 Y508-1007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-1007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-1007
  • 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 Y508-1007 available by request