7388-0028 Screening compound: methyl 4,5-dimethyl-2-{[2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetyl]amino}-3-thiophenecarboxylate

7388-0028 Screening compound: methyl 4,5-dimethyl-2-{[2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetyl]amino}-3-thiophenecarboxylate
7388-0028 Screening compound: methyl 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 7388-0028
methyl 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

7388-0028

Molecular Formula

C22H21N3O4S (C22 H21 N3 O4 S)

Compound Name

methyl 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

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

SMILES

Cc1c(C)sc(NC(CC(C(N2)=O)Nc3cccc4cccc2c34)=O)c1C(OC)=O

InChI

InChI=1S/C22H21N3O4S/c1-11-12(2)30-21(18(11)22(28)29-3)25-17(26)10-16-20(27)24-15-9-5-7-13-6-4-8-14(23-16)19(13)15/h4-9,16,23H,10H2,1-3H3,(H,24,27)(H,25,26)/t16-/m0/s1

InChI Key

JCKCOVOIHXSXFR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD05718971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.776

Distribution Coefficient, logD

0.803

Water Solubility, LogSw

-4.56

Polar Surface Area

81.275

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

7388-0028 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 7388-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7388-0028?
Check Price and Availability of 7388-0028, 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 7388-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7388-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7388-0028
  • 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 7388-0028 available by request