Y600-4139 Screening compound: 2-[11-(2-methoxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-methylacetamide

Y600-4139 Screening compound: 2-[11-(2-methoxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-methylacetamide
Y600-4139 Screening compound: 2-[11-(2-methoxyphenyl)-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 Y600-4139
2-[11-(2-methoxyphenyl)-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

Y600-4139

Molecular Formula

C25H29N3O3 (C25 H29 N3 O3)

Compound Name

2-[11-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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)C2c(cccc3)c3OC)=C2C1=O

InChI

InChI=1S/C25H29N3O3/c1-25(2)13-18-23(20(29)14-25)24(16-9-5-8-12-21(16)31-4)28(15-22(30)26-3)19-11-7-6-10-17(19)27-18/h5-12,24,27H,13-15H2,1-4H3,(H,26,30)/t24-/m0/s1

InChI Key

LRDHJVUYCMLYJT-DEOSSOPVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.627

Distribution Coefficient, logD

3.607

Water Solubility, LogSw

-4.00

Polar Surface Area

59.104

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with Y600-4139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-4139?
Check Price and Availability of Y600-4139, 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 Y600-4139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-4139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-4139
  • 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 Y600-4139 available by request