E692-0874 Screening compound: 1-[(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}piperidin-1-yl)sulfonyl]azepane

E692-0874 Screening compound: 1-[(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}piperidin-1-yl)sulfonyl]azepane
E692-0874 Screening compound: 1-[(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}piperidin-1-yl)sulfonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound E692-0874
1-[(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}piperidin-1-yl)sulfonyl]azepane

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

E692-0874

Molecular Formula

C23H33F3N4O3S (C23 H33 F3 N4 O3 S)

Compound Name

1-[(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}piperidin-1-yl)sulfonyl]azepane

IUPAC name

1-[(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}piperidin-1-yl)sulfonyl]azepane

SMILES

O=C(C(CCC1)CN1S(N1CCCCCC1)(=O)=O)N(CC1)CCN1c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C23H33F3N4O3S/c24-23(25,26)20-8-5-9-21(17-20)27-13-15-28(16-14-27)22(31)19-7-6-12-30(18-19)34(32,33)29-10-3-1-2-4-11-29/h5,8-9,17,19H,1-4,6-7,10-16,18H2/t19-/m0/s1

InChI Key

DNPJFYOLDDQBRY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14910402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.162

Distribution Coefficient, logD

3.162

Water Solubility, LogSw

-3.30

Polar Surface Area

54.528

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.60

E692-0874 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E692-0874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E692-0874?
Check Price and Availability of E692-0874, 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 E692-0874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E692-0874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E692-0874
  • 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 E692-0874 available by request