3490-5458 Screening compound: 11-(2,6-difluorophenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3490-5458 Screening compound: 11-(2,6-difluorophenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3490-5458 Screening compound: 11-(2,6-difluorophenyl)-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 3490-5458
11-(2,6-difluorophenyl)-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

3490-5458

Molecular Formula

C23H24F2N2O (C23 H24 F2 N2 O)

Compound Name

11-(2,6-difluorophenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

10-(26-difluorophenyl)-561414-tetramethyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CC(C)(C1)CC(Nc(cc(C)c(C)c2)c2NC2c(c(F)ccc3)c3F)=C2C1=O

InChI

InChI=1S/C23H24F2N2O/c1-12-8-16-17(9-13(12)2)27-22(20-14(24)6-5-7-15(20)25)21-18(26-16)10-23(3,4)11-19(21)28/h5-9,22,26-27H,10-11H2,1-4H3/t22-/m0/s1

InChI Key

WCWJOZKUQGPSIC-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01994632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.45

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.250

Distribution Coefficient, logD

5.246

Water Solubility, LogSw

-5.11

Polar Surface Area

36.748

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

3490-5458 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3490-5458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3490-5458?
Check Price and Availability of 3490-5458, 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 3490-5458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3490-5458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3490-5458
  • 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 3490-5458 available by request