4861-0280 Screening compound: 11-(4-ethoxyphenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

4861-0280 Screening compound: 11-(4-ethoxyphenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
4861-0280 Screening compound: 11-(4-ethoxyphenyl)-3,3,7,8-tetramethyl-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 4861-0280
11-(4-ethoxyphenyl)-3,3,7,8-tetramethyl-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

4861-0280

Molecular Formula

C25H30N2O2 (C25 H30 N2 O2)

Compound Name

11-(4-ethoxyphenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

10-(4-ethoxyphenyl)-561414-tetramethyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CCOc1ccc(C2Nc(cc(C)c(C)c3)c3NC(CC(C)(C)C3)=C2C3=O)cc1

InChI

InChI=1S/C25H30N2O2/c1-6-29-18-9-7-17(8-10-18)24-23-21(13-25(4,5)14-22(23)28)26-19-11-15(2)16(3)12-20(19)27-24/h7-12,24,26-27H,6,13-14H2,1-5H3/t24-/m0/s1

InChI Key

HBQVASLTZCNXJY-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03445151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.274

Distribution Coefficient, logD

5.265

Water Solubility, LogSw

-5.18

Polar Surface Area

43.872

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

9.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

4861-0280 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4861-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4861-0280?
Check Price and Availability of 4861-0280, 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 4861-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4861-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4861-0280
  • 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 4861-0280 available by request