5186-0094 Screening compound: N-(2,6-dimethoxypyrimidin-4-yl)-4-{[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino}benzene-1-sulfonamide

5186-0094 Screening compound: N-(2,6-dimethoxypyrimidin-4-yl)-4-{[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino}benzene-1-sulfonamide
5186-0094 Screening compound: N-(2,6-dimethoxypyrimidin-4-yl)-4-{[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5186-0094
N-(2,6-dimethoxypyrimidin-4-yl)-4-{[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino}benzene-1-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

5186-0094

Molecular Formula

C23H23N5O4S2 (C23 H23 N5 O4 S2)

Compound Name

N-(2,6-dimethoxypyrimidin-4-yl)-4-{[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino}benzene-1-sulfonamide

IUPAC name

N-(26-dimethoxypyrimidin-4-yl)-4-{[4-(4-ethylphenyl)-13-thiazol-2-yl]amino}benzene-1-sulfonamide

SMILES

CCc(cc1)ccc1-c1csc(Nc(cc2)ccc2S(Nc2nc(OC)nc(OC)c2)(=O)=O)n1

InChI

InChI=1S/C23H23N5O4S2/c1-4-15-5-7-16(8-6-15)19-14-33-23(25-19)24-17-9-11-18(12-10-17)34(29,30)28-20-13-21(31-2)27-22(26-20)32-3/h5-14H,4H2,1-3H3,(H,24,25)(H,26,27,28)

InChI Key

QKRUWWJOVAQCOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03542358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.204

Distribution Coefficient, logD

3.076

Water Solubility, LogSw

-5.63

Polar Surface Area

93.502

Acid Dissociation Constant (pKa)

4.27

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

5186-0094 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 5186-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5186-0094?
Check Price and Availability of 5186-0094, 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 5186-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5186-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5186-0094
  • 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 5186-0094 available by request