K834-3514 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)benzamide

K834-3514 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)benzamide
K834-3514 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K834-3514
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)benzamide

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

K834-3514

Molecular Formula

C28H30N2O8S2 (C28 H30 N2 O8 S2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-{[(23-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)benzamide

SMILES

COc1cccc(CSc(ccc(S(N2CCOCC2)(=O)=O)c2)c2C(NCc(cc2)cc3c2OCO3)=O)c1OC

InChI

InChI=1S/C28H30N2O8S2/c1-34-24-5-3-4-20(27(24)35-2)17-39-26-9-7-21(40(32,33)30-10-12-36-13-11-30)15-22(26)28(31)29-16-19-6-8-23-25(14-19)38-18-37-23/h3-9,14-15H,10-13,16-18H2,1-2H3,(H,29,31)

InChI Key

HLKATHPFGGGQMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15110424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.69

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.252

Distribution Coefficient, logD

4.252

Water Solubility, LogSw

-4.21

Polar Surface Area

96.463

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

-3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

K834-3514 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K834-3514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K834-3514?
Check Price and Availability of K834-3514, 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 K834-3514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K834-3514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K834-3514
  • 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 K834-3514 available by request