8002-0007 Screening compound: 4-[(3-bromophenyl)carbamoyl]phenyl piperidine-1-carbothioate

8002-0007 Screening compound: 4-[(3-bromophenyl)carbamoyl]phenyl piperidine-1-carbothioate
8002-0007 Screening compound: 4-[(3-bromophenyl)carbamoyl]phenyl piperidine-1-carbothioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-0007
4-[(3-bromophenyl)carbamoyl]phenyl piperidine-1-carbothioate

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

8002-0007

Molecular Formula

C19H19BrN2O2S (C19 H19 BrN2 O2 S)

Compound Name

4-[(3-bromophenyl)carbamoyl]phenyl piperidine-1-carbothioate

IUPAC name

4-[(3-bromophenyl)carbamoyl]phenyl piperidine-1-carbothioate

SMILES

O=C(c(cc1)ccc1OC(N1CCCCC1)=S)Nc1cccc(Br)c1

InChI

InChI=1S/C19H19BrN2O2S/c20-15-5-4-6-16(13-15)21-18(23)14-7-9-17(10-8-14)24-19(25)22-11-2-1-3-12-22/h4-10,13H,1-3,11-12H2,(H,21,23)

InChI Key

AYZUIPAEHKQHHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00732325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.078

Distribution Coefficient, logD

5.076

Water Solubility, LogSw

-5.15

Polar Surface Area

30.807

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with 8002-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-0007?
Check Price and Availability of 8002-0007, 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 8002-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-0007
  • 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 8002-0007 available by request