K786-1998 Screening compound: 2-chlorophenyl 2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}pyridine-3-carboxylate

K786-1998 Screening compound: 2-chlorophenyl 2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}pyridine-3-carboxylate
K786-1998 Screening compound: 2-chlorophenyl 2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-1998
2-chlorophenyl 2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}pyridine-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

K786-1998

Molecular Formula

C20H21ClN2O4S (C20 H21 ClN2 O4 S)

Compound Name

2-chlorophenyl 2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}pyridine-3-carboxylate

IUPAC name

2-chlorophenyl 2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}pyridine-3-carboxylate

SMILES

CCC(C(N1CCOCC1)=O)Sc(nccc1)c1C(Oc(cccc1)c1Cl)=O

InChI

InChI=1S/C20H21ClN2O4S/c1-2-17(19(24)23-10-12-26-13-11-23)28-18-14(6-5-9-22-18)20(25)27-16-8-4-3-7-15(16)21/h3-9,17H,2,10-13H2,1H3/t17-/m0/s1

InChI Key

VUHHSRIQIRQFRA-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15100341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.505

Distribution Coefficient, logD

3.505

Water Solubility, LogSw

-3.82

Polar Surface Area

54.439

Acid Dissociation Constant (pKa)

19.53

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

K786-1998 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 K786-1998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-1998?
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What is the minimum amount of K786-1998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-1998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-1998
  • 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 K786-1998 available by request