K040-0090 Screening compound: ethyl 1-(4-chloro-2,5-difluorobenzoyl)piperidine-3-carboxylate

K040-0090 Screening compound: ethyl 1-(4-chloro-2,5-difluorobenzoyl)piperidine-3-carboxylate
K040-0090 Screening compound: ethyl 1-(4-chloro-2,5-difluorobenzoyl)piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K040-0090
ethyl 1-(4-chloro-2,5-difluorobenzoyl)piperidine-3-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

K040-0090

Molecular Formula

C15H16ClF2NO3 (C15 H16 ClF2 NO3)

Compound Name

ethyl 1-(4-chloro-2,5-difluorobenzoyl)piperidine-3-carboxylate

IUPAC name

ethyl 1-(4-chloro-25-difluorobenzoyl)piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c(c(F)c1)cc(F)c1Cl)=O)=O

InChI

InChI=1S/C15H16ClF2NO3/c1-2-22-15(21)9-4-3-5-19(8-9)14(20)10-6-13(18)11(16)7-12(10)17/h6-7,9H,2-5,8H2,1H3/t9-/m0/s1

InChI Key

GJONVHZLHZYQJO-VIFPVBQESA-N

MDL Number (MFCD)

MFCD01533399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.175

Distribution Coefficient, logD

3.175

Water Solubility, LogSw

-3.48

Polar Surface Area

37.574

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

-4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

K040-0090 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K040-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K040-0090?
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What is the minimum amount of K040-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K040-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K040-0090
  • 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 K040-0090 available by request