4478-5291 Screening compound: 2-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamoyl)benzoic acid

4478-5291 Screening compound: 2-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamoyl)benzoic acid
4478-5291 Screening compound: 2-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamoyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-5291
2-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamoyl)benzoic 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

4478-5291

Molecular Formula

C20H18N4O7S (C20 H18 N4 O7 S)

Compound Name

2-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamoyl)benzoic acid

IUPAC name

2-({4-[(26-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamoyl)benzoic acid

SMILES

COc1cc(NS(c(cc2)ccc2NC(c(cccc2)c2C(O)=O)=O)(=O)=O)nc(OC)n1

InChI

InChI=1S/C20H18N4O7S/c1-30-17-11-16(22-20(23-17)31-2)24-32(28,29)13-9-7-12(8-10-13)21-18(25)14-5-3-4-6-15(14)19(26)27/h3-11H,1-2H3,(H,21,25)(H,26,27)(H,22,23,24)

InChI Key

ITCAVNZNLXXTPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01163768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.45

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.262

Distribution Coefficient, logD

-2.180

Water Solubility, LogSw

-2.99

Polar Surface Area

126.315

Acid Dissociation Constant (pKa)

2.96

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

4478-5291 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 4478-5291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-5291?
Check Price and Availability of 4478-5291, 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 4478-5291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-5291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-5291
  • 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 4478-5291 available by request