8008-4915 Screening compound: 3-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamoyl)propanoic acid

8008-4915 Screening compound: 3-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamoyl)propanoic acid
8008-4915 Screening compound: 3-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamoyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4915
3-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamoyl)propanoic 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

8008-4915

Molecular Formula

C16H18N4O7S (C16 H18 N4 O7 S)

Compound Name

3-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamoyl)propanoic acid

IUPAC name

3-({4-[(26-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamoyl)propanoic acid

SMILES

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

InChI

InChI=1S/C16H18N4O7S/c1-26-14-9-12(18-16(19-14)27-2)20-28(24,25)11-5-3-10(4-6-11)17-13(21)7-8-15(22)23/h3-6,9H,7-8H2,1-2H3,(H,17,21)(H,22,23)(H,18,19,20)

InChI Key

VZBXLXMWJDBEBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01163770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.41

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.777

Distribution Coefficient, logD

-2.351

Water Solubility, LogSw

-2.50

Polar Surface Area

126.348

Acid Dissociation Constant (pKa)

4.27

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8008-4915 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8008-4915 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4915?
Check Price and Availability of 8008-4915, 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 8008-4915 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4915
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4915
  • 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 8008-4915 available by request