C155-0785 Screening compound: (4-bromophenyl)methyl 1-(4-fluorobenzenesulfonyl)piperidine-2-carboxylate

C155-0785 Screening compound: (4-bromophenyl)methyl 1-(4-fluorobenzenesulfonyl)piperidine-2-carboxylate
C155-0785 Screening compound: (4-bromophenyl)methyl 1-(4-fluorobenzenesulfonyl)piperidine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C155-0785
(4-bromophenyl)methyl 1-(4-fluorobenzenesulfonyl)piperidine-2-carboxylate

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

C155-0785

Molecular Formula

C19H19BrFNO4S (C19 H19 BrFNO4 S)

Compound Name

(4-bromophenyl)methyl 1-(4-fluorobenzenesulfonyl)piperidine-2-carboxylate

IUPAC name

(4-bromophenyl)methyl 1-(4-fluorobenzenesulfonyl)piperidine-2-carboxylate

SMILES

O=C(C(CCCC1)N1S(c(cc1)ccc1F)(=O)=O)OCc(cc1)ccc1Br

InChI

InChI=1S/C19H19BrFNO4S/c20-15-6-4-14(5-7-15)13-26-19(23)18-3-1-2-12-22(18)27(24,25)17-10-8-16(21)9-11-17/h4-11,18H,1-3,12-13H2/t18-/m0/s1

InChI Key

XKYSYLPMGKDQNM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14723378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.629

Distribution Coefficient, logD

4.629

Water Solubility, LogSw

-4.76

Polar Surface Area

53.278

Acid Dissociation Constant (pKa)

19.75

Base Dissociation Constant (pKb)

-7.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

C155-0785 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C155-0785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C155-0785?
Check Price and Availability of C155-0785, 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 C155-0785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C155-0785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C155-0785
  • 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 C155-0785 available by request