Y508-5235 Screening compound: 10-(2-ethylhexanoyl)-11-(3-methoxy-4-propoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Y508-5235 Screening compound: 10-(2-ethylhexanoyl)-11-(3-methoxy-4-propoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Y508-5235 Screening compound: 10-(2-ethylhexanoyl)-11-(3-methoxy-4-propoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-5235
10-(2-ethylhexanoyl)-11-(3-methoxy-4-propoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

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

Y508-5235

Molecular Formula

C33H44N2O4 (C33 H44 N2 O4)

Compound Name

10-(2-ethylhexanoyl)-11-(3-methoxy-4-propoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

n/a

SMILES

CCCCC(CC)C(N(C1c(cc2)cc(OC)c2OCCC)c(cccc2)c2NC(CC(C)(C)C2)=C1C2=O)=O

InChI

InChI=1S/C33H44N2O4/c1-7-10-13-22(9-3)32(37)35-26-15-12-11-14-24(26)34-25-20-33(4,5)21-27(36)30(25)31(35)23-16-17-28(39-18-8-2)29(19-23)38-6/h11-12,14-17,19,22,31,34H,7-10,13,18,20-21H2,1-6H3

InChI Key

SRLSLNUPEKAHCA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.72

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.486

Distribution Coefficient, logD

7.256

Water Solubility, LogSw

-5.60

Polar Surface Area

54.571

Acid Dissociation Constant (pKa)

7.56

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

51.50

References: we are preparing a list of scientific research reports with Y508-5235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-5235?
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What is the minimum amount of Y508-5235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-5235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-5235
  • 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 Y508-5235 available by request