K786-3367 Screening compound: 6-tert-butyl-4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

K786-3367 Screening compound: 6-tert-butyl-4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
K786-3367 Screening compound: 6-tert-butyl-4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-3367
6-tert-butyl-4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

K786-3367

Molecular Formula

C25H30ClN3O3 (C25 H30 ClN3 O3)

Compound Name

6-tert-butyl-4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-tert-butyl-4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CC(C)(C)c(cc1)cc(N2CC(N(CC3)CCN3c3c(C)ccc(Cl)c3)=O)c1OCC2=O

InChI

InChI=1S/C25H30ClN3O3/c1-17-5-7-19(26)14-20(17)27-9-11-28(12-10-27)23(30)15-29-21-13-18(25(2,3)4)6-8-22(21)32-16-24(29)31/h5-8,13-14H,9-12,15-16H2,1-4H3

InChI Key

DHUFGDTUUILTQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.609

Distribution Coefficient, logD

4.609

Water Solubility, LogSw

-4.70

Polar Surface Area

43.420

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

K786-3367 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K786-3367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-3367?
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What is the minimum amount of K786-3367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-3367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-3367
  • 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 K786-3367 available by request