5236-0196 Screening compound: 10-acetyl-11-(4-chlorophenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

5236-0196 Screening compound: 10-acetyl-11-(4-chlorophenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
5236-0196 Screening compound: 10-acetyl-11-(4-chlorophenyl)-3-(4-methoxyphenyl)-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 5236-0196
10-acetyl-11-(4-chlorophenyl)-3-(4-methoxyphenyl)-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

5236-0196

Molecular Formula

C28H25ClN2O3 (C28 H25 ClN2 O3)

Compound Name

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

IUPAC name

9-acetyl-10-(4-chlorophenyl)-14-(4-methoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CC(N(C1c(cc2)ccc2Cl)c(cccc2)c2NC(CC(C2)c(cc3)ccc3OC)=C1C2=O)=O

InChI

InChI=1S/C28H25ClN2O3/c1-17(32)31-25-6-4-3-5-23(25)30-24-15-20(18-9-13-22(34-2)14-10-18)16-26(33)27(24)28(31)19-7-11-21(29)12-8-19/h3-14,20,28,30H,15-16H2,1-2H3

InChI Key

FATVKBRQPXGICZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.794

Distribution Coefficient, logD

5.474

Water Solubility, LogSw

-6.18

Polar Surface Area

47.176

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.40

5236-0196 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 5236-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5236-0196?
Check Price and Availability of 5236-0196, 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 5236-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5236-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5236-0196
  • 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 5236-0196 available by request