F874-0577 Screening compound: 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

F874-0577 Screening compound: 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
F874-0577 Screening compound: 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F874-0577
4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

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

F874-0577

Molecular Formula

C20H18ClF3N4O2 (C20 H18 ClF3 N4 O2)

Compound Name

4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

IUPAC name

4-[(6-chloro-13-benzoxazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

SMILES

O=C(Nc1cc(C(F)(F)F)ccc1)N1CCN(Cc2nc(ccc(Cl)c3)c3o2)CC1

InChI

InChI=1S/C20H18ClF3N4O2/c21-14-4-5-16-17(11-14)30-18(26-16)12-27-6-8-28(9-7-27)19(29)25-15-3-1-2-13(10-15)20(22,23)24/h1-5,10-11H,6-9,12H2,(H,25,29)

InChI Key

YHKYJAUAQJUQKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27201511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.615

Distribution Coefficient, logD

4.605

Water Solubility, LogSw

-4.73

Polar Surface Area

45.995

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

F874-0577 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 F874-0577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F874-0577?
Check Price and Availability of F874-0577, 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 F874-0577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F874-0577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F874-0577
  • 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 F874-0577 available by request