6049-1372 Screening compound: 6-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)cyclohex-3-ene-1-carboxylic acid

6049-1372 Screening compound: 6-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)cyclohex-3-ene-1-carboxylic acid
6049-1372 Screening compound: 6-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)cyclohex-3-ene-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-1372
6-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)cyclohex-3-ene-1-carboxylic acid

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

6049-1372

Molecular Formula

C19H20N4O5S (C19 H20 N4 O5 S)

Compound Name

6-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)cyclohex-3-ene-1-carboxylic acid

IUPAC name

6-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)cyclohex-3-ene-1-carboxylic acid

SMILES

Cc1ccnc(NS(c(cc2)ccc2NC(C(CC=CC2)C2C(O)=O)=O)(=O)=O)n1

InChI

InChI=1S/C19H20N4O5S/c1-12-10-11-20-19(21-12)23-29(27,28)14-8-6-13(7-9-14)22-17(24)15-4-2-3-5-16(15)18(25)26/h2-3,6-11,15-16H,4-5H2,1H3,(H,22,24)(H,25,26)(H,20,21,23)

InChI Key

SQHFGAIYNPNRJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01357030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.418

Distribution Coefficient, logD

-0.938

Water Solubility, LogSw

-2.71

Polar Surface Area

112.523

Acid Dissociation Constant (pKa)

5.05

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

6049-1372 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Integrin Receptors Targeted library (1715 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 6049-1372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-1372?
Check Price and Availability of 6049-1372, 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 6049-1372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-1372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-1372
  • 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 6049-1372 available by request