7982-0028 Screening compound: N~1~-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetamide

7982-0028 Screening compound: N~1~-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetamide
7982-0028 Screening compound: N~1~-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7982-0028
N~1~-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetamide

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

7982-0028

Molecular Formula

C21H15ClF3N3O2 (C21 H15 ClF3 N3 O2)

Compound Name

N~1~-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetamide

IUPAC name

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{12-oxo-1013-diazatricyclo[7.4.1.0^{514}]tetradeca-13579(14)-pentaen-11-yl}acetamide

SMILES

O=C(CC(C(N1)=O)Nc2cccc3cccc1c23)Nc(cc1)cc(C(F)(F)F)c1Cl

InChI

InChI=1S/C21H15ClF3N3O2/c22-14-8-7-12(9-13(14)21(23,24)25)26-18(29)10-17-20(30)28-16-6-2-4-11-3-1-5-15(27-17)19(11)16/h1-9,17,27H,10H2,(H,26,29)(H,28,30)/t17-/m0/s1

InChI Key

GBTDVWCUDURXHF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14713280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.131

Distribution Coefficient, logD

4.958

Water Solubility, LogSw

-5.75

Polar Surface Area

60.306

Acid Dissociation Constant (pKa)

7.71

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

7982-0028 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 7982-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7982-0028?
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What is the minimum amount of 7982-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7982-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7982-0028
  • 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 7982-0028 available by request