C276-0547 Screening compound: 11-[4-(dimethylamino)phenyl]-8,8-dimethyl-2,3,6,7,8,9,10,11-octahydro-1,4-dioxa-6-azatetracen-10-one

C276-0547 Screening compound: 11-[4-(dimethylamino)phenyl]-8,8-dimethyl-2,3,6,7,8,9,10,11-octahydro-1,4-dioxa-6-azatetracen-10-one
C276-0547 Screening compound: 11-[4-(dimethylamino)phenyl]-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 C276-0547
11-[4-(dimethylamino)phenyl]-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

C276-0547

Molecular Formula

C25H28N2O3 (C25 H28 N2 O3)

Compound Name

11-[4-(dimethylamino)phenyl]-8,8-dimethyl-2,3,6,7,8,9,10,11-octahydro-1,4-dioxa-6-azatetracen-10-one

IUPAC name

11-[4-(dimethylamino)phenyl]-88-dimethyl-2367891011-octahydro-14-dioxa-6-azatetracen-10-one

SMILES

CC(C)(C1)CC(Nc2c(C3c(cc4)ccc4N(C)C)cc4OCCOc4c2)=C3C1=O

InChI

InChI=1S/C25H28N2O3/c1-25(2)13-19-24(20(28)14-25)23(15-5-7-16(8-6-15)27(3)4)17-11-21-22(12-18(17)26-19)30-10-9-29-21/h5-8,11-12,23,26H,9-10,13-14H2,1-4H3/t23-/m0/s1

InChI Key

GLNBQXUDQCMQRN-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD06754262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.411

Distribution Coefficient, logD

3.316

Water Solubility, LogSw

-3.66

Polar Surface Area

42.898

Acid Dissociation Constant (pKa)

8.05

Base Dissociation Constant (pKb)

8.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

C276-0547 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 C276-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0547?
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What is the minimum amount of C276-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0547
  • 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 C276-0547 available by request