Y041-4730 Screening compound: (11E)-14,16-bis[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-1,7-dione

Y041-4730 Screening compound: (11E)-14,16-bis[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-1,7-dione
Y041-4730 Screening compound: (11E)-14,16-bis[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-1,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4730
(11E)-14,16-bis[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-1,7-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

Y041-4730

Molecular Formula

C32H30Cl2F2O5 (C32 H30 Cl2 F2 O5)

Compound Name

(11E)-14,16-bis[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-1,7-dione

IUPAC name

(3S11E)-1416-bis[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-345678910-octahydro-1H-2-benzoxacyclotetradecine-17-dione

SMILES

CC(CCCC(CCC/C=C/c1cc(OCc(c(F)ccc2)c2Cl)cc(OCc(c(F)ccc2)c2Cl)c11)=O)OC1=O

InChI

InChI=1S/C32H30Cl2F2O5/c1-20-8-5-11-22(37)10-4-2-3-9-21-16-23(39-18-24-26(33)12-6-14-28(24)35)17-30(31(21)32(38)41-20)40-19-25-27(34)13-7-15-29(25)36/h3,6-7,9,12-17,20H,2,4-5,8,10-11,18-19H2,1H3/t20-/m0/s1

InChI Key

RNSINQOJPZZUEQ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02673813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

603.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.908

Distribution Coefficient, logD

7.908

Water Solubility, LogSw

-6.77

Polar Surface Area

49.333

Acid Dissociation Constant (pKa)

21.60

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with Y041-4730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4730?
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What is the minimum amount of Y041-4730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4730
  • 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 Y041-4730 available by request