C276-0268 Screening compound: 11-(3-chlorophenyl)-8,8-dimethyl-2,3,6,7,8,9,10,11-octahydro-1,4-dioxa-6-azatetracen-10-one

C276-0268 Screening compound: 11-(3-chlorophenyl)-8,8-dimethyl-2,3,6,7,8,9,10,11-octahydro-1,4-dioxa-6-azatetracen-10-one
C276-0268 Screening compound: 11-(3-chlorophenyl)-8,8-dimethyl-2,3,6,7,8,9,10,11-octahydro-1,4-dioxa-6-azatetracen-10-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0268
11-(3-chlorophenyl)-8,8-dimethyl-2,3,6,7,8,9,10,11-octahydro-1,4-dioxa-6-azatetracen-10-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

C276-0268

Molecular Formula

C23H22ClNO3 (C23 H22 ClNO3)

Compound Name

11-(3-chlorophenyl)-8,8-dimethyl-2,3,6,7,8,9,10,11-octahydro-1,4-dioxa-6-azatetracen-10-one

IUPAC name

11-(3-chlorophenyl)-88-dimethyl-2367891011-octahydro-14-dioxa-6-azatetracen-10-one

SMILES

CC(C)(C1)CC(Nc2c(C3c4cccc(Cl)c4)cc4OCCOc4c2)=C3C1=O

InChI

InChI=1S/C23H22ClNO3/c1-23(2)11-17-22(18(26)12-23)21(13-4-3-5-14(24)8-13)15-9-19-20(10-16(15)25-17)28-7-6-27-19/h3-5,8-10,21,25H,6-7,11-12H2,1-2H3/t21-/m0/s1

InChI Key

OXGCLZMVATZCFX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD06651897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.916

Distribution Coefficient, logD

3.829

Water Solubility, LogSw

-4.16

Polar Surface Area

40.093

Acid Dissociation Constant (pKa)

8.05

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

C276-0268 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C276-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0268?
Check Price and Availability of C276-0268, 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 C276-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0268
  • 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 C276-0268 available by request