7388-0027 Screening compound: ethyl 4,5-dimethyl-2-{[2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetyl]amino}-3-thiophenecarboxylate

7388-0027 Screening compound: ethyl 4,5-dimethyl-2-{[2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetyl]amino}-3-thiophenecarboxylate
7388-0027 Screening compound: ethyl 4,5-dimethyl-2-{[2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetyl]amino}-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7388-0027
ethyl 4,5-dimethyl-2-{[2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetyl]amino}-3-thiophenecarboxylate

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

7388-0027

Molecular Formula

C23H23N3O4S (C23 H23 N3 O4 S)

Compound Name

ethyl 4,5-dimethyl-2-{[2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetyl]amino}-3-thiophenecarboxylate

IUPAC name

ethyl 45-dimethyl-2-(2-{12-oxo-1013-diazatricyclo[7.4.1.0^{514}]tetradeca-13579(14)-pentaen-11-yl}acetamido)thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CC(C(N2)=O)Nc3cccc4cccc2c34)=O)sc(C)c1C)=O

InChI

InChI=1S/C23H23N3O4S/c1-4-30-23(29)19-12(2)13(3)31-22(19)26-18(27)11-17-21(28)25-16-10-6-8-14-7-5-9-15(24-17)20(14)16/h5-10,17,24H,4,11H2,1-3H3,(H,25,28)(H,26,27)/t17-/m0/s1

InChI Key

YODMAROYMWFTDZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD05718970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

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

4.158

Distribution Coefficient, logD

1.185

Water Solubility, LogSw

-4.72

Polar Surface Area

80.855

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

7388-0027 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with 7388-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7388-0027?
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What is the minimum amount of 7388-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7388-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7388-0027
  • 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 7388-0027 available by request