Y600-4377 Screening compound: 3-(2-furyl)-11-(2-methoxyphenyl)-10-(1-naphthylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Y600-4377 Screening compound: 3-(2-furyl)-11-(2-methoxyphenyl)-10-(1-naphthylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Y600-4377 Screening compound: 3-(2-furyl)-11-(2-methoxyphenyl)-10-(1-naphthylcarbonyl)-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 Y600-4377
3-(2-furyl)-11-(2-methoxyphenyl)-10-(1-naphthylcarbonyl)-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

Y600-4377

Molecular Formula

C35H28N2O4 (C35 H28 N2 O4)

Compound Name

3-(2-furyl)-11-(2-methoxyphenyl)-10-(1-naphthylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

14-(furan-2-yl)-10-(2-methoxyphenyl)-9-(naphthalene-1-carbonyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

COc1c(C2N(C(c3cccc4ccccc34)=O)c(cccc3)c3NC(CC(C3)c4ccco4)=C2C3=O)cccc1

InChI

InChI=1S/C35H28N2O4/c1-40-32-17-7-4-13-26(32)34-33-28(20-23(21-30(33)38)31-18-9-19-41-31)36-27-15-5-6-16-29(27)37(34)35(39)25-14-8-11-22-10-2-3-12-24(22)25/h2-19,23,34,36H,20-21H2,1H3

InChI Key

LVYWWXMWWHDMLL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.100

Distribution Coefficient, logD

7.068

Water Solubility, LogSw

-6.79

Polar Surface Area

54.830

Acid Dissociation Constant (pKa)

8.53

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

14.29

Y600-4377 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 Y600-4377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-4377?
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What is the minimum amount of Y600-4377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-4377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-4377
  • 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 Y600-4377 available by request