K906-2033 Screening compound: 6-({3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

K906-2033 Screening compound: 6-({3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one
K906-2033 Screening compound: 6-({3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-2033
6-({3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-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

K906-2033

Molecular Formula

C25H30N4O6S (C25 H30 N4 O6 S)

Compound Name

6-({3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

6-({3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-3-methyl-23-dihydro-13-benzoxazol-2-one

SMILES

CN(c(ccc(S(N(CCC1)CC1C(N(CC1)CCN1c(cccc1)c1OC)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C25H30N4O6S/c1-26-20-10-9-19(16-23(20)35-25(26)31)36(32,33)29-11-5-6-18(17-29)24(30)28-14-12-27(13-15-28)21-7-3-4-8-22(21)34-2/h3-4,7-10,16,18H,5-6,11-15,17H2,1-2H3/t18-/m0/s1

InChI Key

BTCCCXZRIVBOGA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15112672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.180

Distribution Coefficient, logD

2.180

Water Solubility, LogSw

-2.88

Polar Surface Area

81.987

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

K906-2033 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K906-2033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-2033?
Check Price and Availability of K906-2033, 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 K906-2033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-2033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-2033
  • 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 K906-2033 available by request