8005-4412 Screening compound: 4-[(4-bromoanilino)carbonyl]phenyl tetrahydro-1(2H)-pyridinecarbothioate

8005-4412 Screening compound: 4-[(4-bromoanilino)carbonyl]phenyl tetrahydro-1(2H)-pyridinecarbothioate
8005-4412 Screening compound: 4-[(4-bromoanilino)carbonyl]phenyl tetrahydro-1(2H)-pyridinecarbothioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-4412
4-[(4-bromoanilino)carbonyl]phenyl tetrahydro-1(2H)-pyridinecarbothioate

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

8005-4412

Molecular Formula

C19H19BrN2O2S (C19 H19 BrN2 O2 S)

Compound Name

4-[(4-bromoanilino)carbonyl]phenyl tetrahydro-1(2H)-pyridinecarbothioate

IUPAC name

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

SMILES

O=C(c(cc1)ccc1OC(N1CCCCC1)=S)Nc(cc1)ccc1Br

InChI

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

InChI Key

CKTLKYSPQWUZJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00819726

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

5.104

Distribution Coefficient, logD

5.102

Water Solubility, LogSw

-5.03

Polar Surface Area

30.807

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

8005-4412 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8005-4412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-4412?
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What is the minimum amount of 8005-4412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-4412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-4412
  • 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 8005-4412 available by request