C276-0662 Screening compound: 7,7-dimethyl-10-(4-propoxyphenyl)-2H,5H,6H,7H,8H,9H,10H-[1,3]dioxolo[4,5-b]acridin-9-one

C276-0662 Screening compound: 7,7-dimethyl-10-(4-propoxyphenyl)-2H,5H,6H,7H,8H,9H,10H-[1,3]dioxolo[4,5-b]acridin-9-one
C276-0662 Screening compound: 7,7-dimethyl-10-(4-propoxyphenyl)-2H,5H,6H,7H,8H,9H,10H-[1,3]dioxolo[4,5-b]acridin-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0662
7,7-dimethyl-10-(4-propoxyphenyl)-2H,5H,6H,7H,8H,9H,10H-[1,3]dioxolo[4,5-b]acridin-9-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

C276-0662

Molecular Formula

C25H27NO4 (C25 H27 NO4)

Compound Name

7,7-dimethyl-10-(4-propoxyphenyl)-2H,5H,6H,7H,8H,9H,10H-[1,3]dioxolo[4,5-b]acridin-9-one

IUPAC name

77-dimethyl-10-(4-propoxyphenyl)-2H5H6H7H8H9H10H-[13]dioxolo[45-b]acridin-9-one

SMILES

CCCOc1ccc(C2C(C(CC(C)(C)C3)=O)=C3Nc3c2cc2OCOc2c3)cc1

InChI

InChI=1S/C25H27NO4/c1-4-9-28-16-7-5-15(6-8-16)23-17-10-21-22(30-14-29-21)11-18(17)26-19-12-25(2,3)13-20(27)24(19)23/h5-8,10-11,23,26H,4,9,12-14H2,1-3H3/t23-/m0/s1

InChI Key

WLQMWDGQYHFIHU-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD06754665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.49

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

5.355

Distribution Coefficient, logD

5.268

Water Solubility, LogSw

-5.43

Polar Surface Area

48.803

Acid Dissociation Constant (pKa)

8.05

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

C276-0662 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C276-0662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0662?
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What is the minimum amount of C276-0662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0662
  • 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 C276-0662 available by request