Y600-4111 Screening compound: 2-[11-(3-cyclohexenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-methylacetamide

Y600-4111 Screening compound: 2-[11-(3-cyclohexenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-methylacetamide
Y600-4111 Screening compound: 2-[11-(3-cyclohexenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-4111
2-[11-(3-cyclohexenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-methylacetamide

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

Y600-4111

Molecular Formula

C24H31N3O2 (C24 H31 N3 O2)

Compound Name

2-[11-(3-cyclohexenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-methylacetamide

IUPAC name

2-[10-(cyclohex-3-en-1-yl)-1414-dimethyl-12-oxo-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-9-yl]-N-methylacetamide

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(CC(NC)=O)C2C3CC=CCC3)=C2C1=O

InChI

InChI=1S/C24H31N3O2/c1-24(2)13-18-22(20(28)14-24)23(16-9-5-4-6-10-16)27(15-21(29)25-3)19-12-8-7-11-17(19)26-18/h4-5,7-8,11-12,16,23,26H,6,9-10,13-15H2,1-3H3,(H,25,29)

InChI Key

FXJVOSSDVORWEP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.870

Distribution Coefficient, logD

3.792

Water Solubility, LogSw

-4.06

Polar Surface Area

51.666

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with Y600-4111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-4111?
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What is the minimum amount of Y600-4111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-4111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-4111
  • 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 Y600-4111 available by request