K906-2929 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetamide

K906-2929 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetamide
K906-2929 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-2929
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetamide

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

K906-2929

Molecular Formula

C22H23N3O7S (C22 H23 N3 O7 S)

Compound Name

N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetamide

IUPAC name

N-[(23-dihydro-14-benzodioxin-2-yl)methyl]-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-23-dihydro-13-benzoxazol-3-yl]acetamide

SMILES

O=C(CN(c(ccc(S(N1CCCC1)(=O)=O)c1)c1O1)C1=O)NCC1Oc(cccc2)c2OC1

InChI

InChI=1S/C22H23N3O7S/c26-21(23-12-15-14-30-18-5-1-2-6-19(18)31-15)13-25-17-8-7-16(11-20(17)32-22(25)27)33(28,29)24-9-3-4-10-24/h1-2,5-8,11,15H,3-4,9-10,12-14H2,(H,23,26)/t15-/m0/s1

InChI Key

MEIPHHWPXUOPEO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15113081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.846

Distribution Coefficient, logD

1.846

Water Solubility, LogSw

-2.72

Polar Surface Area

95.295

Acid Dissociation Constant (pKa)

14.80

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

K906-2929 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K906-2929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-2929?
Check Price and Availability of K906-2929, 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 K906-2929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-2929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-2929
  • 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 K906-2929 available by request