7388-0040 Screening compound: ethyl 4-{[2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetyl]amino}benzoate

7388-0040 Screening compound: ethyl 4-{[2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetyl]amino}benzoate
7388-0040 Screening compound: ethyl 4-{[2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7388-0040
ethyl 4-{[2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetyl]amino}benzoate

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

7388-0040

Molecular Formula

C23H21N3O4 (C23 H21 N3 O4)

Compound Name

ethyl 4-{[2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetyl]amino}benzoate

IUPAC name

ethyl 4-(2-{12-oxo-1013-diazatricyclo[7.4.1.0^{514}]tetradeca-13579(14)-pentaen-11-yl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CC(C(N1)=O)Nc2c3c1cccc3ccc2)=O)=O

InChI

InChI=1S/C23H21N3O4/c1-2-30-23(29)15-9-11-16(12-10-15)24-20(27)13-19-22(28)26-18-8-4-6-14-5-3-7-17(25-19)21(14)18/h3-12,19,25H,2,13H2,1H3,(H,24,27)(H,26,28)/t19-/m0/s1

InChI Key

BOSOHOVKQGPRLG-IBGZPJMESA-N

MDL Number (MFCD)

MFCD05718983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.125

Distribution Coefficient, logD

4.125

Water Solubility, LogSw

-4.59

Polar Surface Area

81.060

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.39

7388-0040 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human Receptors Annotated Library (5376 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

SH2 Library (10483 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 7388-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7388-0040?
Check Price and Availability of 7388-0040, 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 7388-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7388-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7388-0040
  • 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 7388-0040 available by request