2767-1048 Screening compound: ethyl 2-({5-cyclohexyl-5-ethyl-4-oxo-3H,4H,5H,6H-benzo[h]quinazolin-2-yl}sulfanyl)acetate

2767-1048 Screening compound: ethyl 2-({5-cyclohexyl-5-ethyl-4-oxo-3H,4H,5H,6H-benzo[h]quinazolin-2-yl}sulfanyl)acetate
2767-1048 Screening compound: ethyl 2-({5-cyclohexyl-5-ethyl-4-oxo-3H,4H,5H,6H-benzo[h]quinazolin-2-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2767-1048
ethyl 2-({5-cyclohexyl-5-ethyl-4-oxo-3H,4H,5H,6H-benzo[h]quinazolin-2-yl}sulfanyl)acetate

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

2767-1048

Molecular Formula

C24H30N2O3S (C24 H30 N2 O3 S)

Compound Name

ethyl 2-({5-cyclohexyl-5-ethyl-4-oxo-3H,4H,5H,6H-benzo[h]quinazolin-2-yl}sulfanyl)acetate

IUPAC name

ethyl 2-({5-cyclohexyl-5-ethyl-4-oxo-3H4H5H6H-benzo[h]quinazolin-2-yl}sulfanyl)acetate

SMILES

CCC(Cc1c2cccc1)(C1CCCCC1)C(C(N1)=O)=C2N=C1SCC(OCC)=O

InChI

InChI=1S/C24H30N2O3S/c1-3-24(17-11-6-5-7-12-17)14-16-10-8-9-13-18(16)21-20(24)22(28)26-23(25-21)30-15-19(27)29-4-2/h8-10,13,17H,3-7,11-12,14-15H2,1-2H3,(H,25,26,28)/t24-/m0/s1

InChI Key

GWJQEGOXVQKVGA-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01819912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.192

Distribution Coefficient, logD

5.138

Water Solubility, LogSw

-4.85

Polar Surface Area

54.709

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.20

2767-1048 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2767-1048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2767-1048?
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What is the minimum amount of 2767-1048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2767-1048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2767-1048
  • 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 2767-1048 available by request