C276-0542 Screening compound: 8,8-dimethyl-11-[4-(propan-2-yl)phenyl]-2,3,6,7,8,9,10,11-octahydro-1,4-dioxa-6-azatetracen-10-one

C276-0542 Screening compound: 8,8-dimethyl-11-[4-(propan-2-yl)phenyl]-2,3,6,7,8,9,10,11-octahydro-1,4-dioxa-6-azatetracen-10-one
C276-0542 Screening compound: 8,8-dimethyl-11-[4-(propan-2-yl)phenyl]-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 C276-0542
8,8-dimethyl-11-[4-(propan-2-yl)phenyl]-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

C276-0542

Molecular Formula

C26H29NO3 (C26 H29 NO3)

Compound Name

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

IUPAC name

88-dimethyl-11-[4-(propan-2-yl)phenyl]-2367891011-octahydro-14-dioxa-6-azatetracen-10-one

SMILES

CC(C)c1ccc(C2C(C(CC(C)(C)C3)=O)=C3Nc3c2cc2OCCOc2c3)cc1

InChI

InChI=1S/C26H29NO3/c1-15(2)16-5-7-17(8-6-16)24-18-11-22-23(30-10-9-29-22)12-19(18)27-20-13-26(3,4)14-21(28)25(20)24/h5-8,11-12,15,24,27H,9-10,13-14H2,1-4H3/t24-/m0/s1

InChI Key

NVLNXMCRJGSDOG-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD06754258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.659

Distribution Coefficient, logD

4.572

Water Solubility, LogSw

-4.48

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

42.30

C276-0542 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Akt-Targeted Library (14764 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C276-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0542?
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What is the minimum amount of C276-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0542
  • 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 C276-0542 available by request