7100-1113 Screening compound: N-(4,6-dimethylpyrimidin-2-yl)-4-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}benzene-1-sulfonamide

7100-1113 Screening compound: N-(4,6-dimethylpyrimidin-2-yl)-4-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}benzene-1-sulfonamide
7100-1113 Screening compound: N-(4,6-dimethylpyrimidin-2-yl)-4-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7100-1113
N-(4,6-dimethylpyrimidin-2-yl)-4-{[4-(pyridin-3-yl)-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

7100-1113

Molecular Formula

C20H18N6O2S2 (C20 H18 N6 O2 S2)

Compound Name

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

IUPAC name

N-(46-dimethylpyrimidin-2-yl)-4-{[4-(pyridin-3-yl)-13-thiazol-2-yl]amino}benzene-1-sulfonamide

SMILES

Cc1nc(NS(c(cc2)ccc2Nc2nc(-c3cnccc3)cs2)(=O)=O)nc(C)c1

InChI

InChI=1S/C20H18N6O2S2/c1-13-10-14(2)23-19(22-13)26-30(27,28)17-7-5-16(6-8-17)24-20-25-18(12-29-20)15-4-3-9-21-11-15/h3-12H,1-2H3,(H,24,25)(H,22,23,26)

InChI Key

XFUUTASJGNQPSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01465585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.325

Distribution Coefficient, logD

2.842

Water Solubility, LogSw

-3.51

Polar Surface Area

88.411

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

7100-1113 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

GPCR Targeted Library (31838 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7100-1113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7100-1113?
Check Price and Availability of 7100-1113, 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 7100-1113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7100-1113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7100-1113
  • 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 7100-1113 available by request