K906-4996 Screening compound: N-[4-(4-chlorophenoxy)phenyl]-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide

K906-4996 Screening compound: N-[4-(4-chlorophenoxy)phenyl]-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
K906-4996 Screening compound: N-[4-(4-chlorophenoxy)phenyl]-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-4996
N-[4-(4-chlorophenoxy)phenyl]-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide

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

K906-4996

Molecular Formula

C20H14ClN3O4S2 (C20 H14 ClN3 O4 S2)

Compound Name

N-[4-(4-chlorophenoxy)phenyl]-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide

IUPAC name

N-[4-(4-chlorophenoxy)phenyl]-5-(6-oxo-16-dihydropyridazin-3-yl)thiophene-2-sulfonamide

SMILES

O=C(C=C1)NN=C1c(s1)ccc1S(Nc(cc1)ccc1Oc(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C20H14ClN3O4S2/c21-13-1-5-15(6-2-13)28-16-7-3-14(4-8-16)24-30(26,27)20-12-10-18(29-20)17-9-11-19(25)23-22-17/h1-12,24H,(H,23,25)

InChI Key

OLRBSEMWUMOPDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.392

Distribution Coefficient, logD

5.388

Water Solubility, LogSw

-6.05

Polar Surface Area

85.791

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

K906-4996 in Drug Discovery

Included in Screening Libraries

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 K906-4996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-4996?
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What is the minimum amount of K906-4996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-4996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-4996
  • 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 K906-4996 available by request