8019-0627 Screening compound: 1-[4-methoxy-3-(trifluoromethyl)benzenesulfonyl]-2,3,4,5-tetrahydro-1H-1-benzazepine

8019-0627 Screening compound: 1-[4-methoxy-3-(trifluoromethyl)benzenesulfonyl]-2,3,4,5-tetrahydro-1H-1-benzazepine
8019-0627 Screening compound: 1-[4-methoxy-3-(trifluoromethyl)benzenesulfonyl]-2,3,4,5-tetrahydro-1H-1-benzazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0627
1-[4-methoxy-3-(trifluoromethyl)benzenesulfonyl]-2,3,4,5-tetrahydro-1H-1-benzazepine

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

8019-0627

Molecular Formula

C18H18F3NO3S (C18 H18 F3 NO3 S)

Compound Name

1-[4-methoxy-3-(trifluoromethyl)benzenesulfonyl]-2,3,4,5-tetrahydro-1H-1-benzazepine

IUPAC name

1-[4-methoxy-3-(trifluoromethyl)benzenesulfonyl]-2345-tetrahydro-1H-1-benzazepine

SMILES

COc(cc1)c(C(F)(F)F)cc1S(N(CCCC1)c2c1cccc2)(=O)=O

InChI

InChI=1S/C18H18F3NO3S/c1-25-17-10-9-14(12-15(17)18(19,20)21)26(23,24)22-11-5-4-7-13-6-2-3-8-16(13)22/h2-3,6,8-10,12H,4-5,7,11H2,1H3

InChI Key

CVQDVJFAYYOONQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.346

Distribution Coefficient, logD

4.346

Water Solubility, LogSw

-4.43

Polar Surface Area

39.352

Acid Dissociation Constant (pKa)

26.29

Base Dissociation Constant (pKb)

-12.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8019-0627 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8019-0627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0627?
Check Price and Availability of 8019-0627, 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 8019-0627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0627
  • 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 8019-0627 available by request