D278-0138 Screening compound: 4-{[5-(ethoxycarbonyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoic acid

D278-0138 Screening compound: 4-{[5-(ethoxycarbonyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoic acid
D278-0138 Screening compound: 4-{[5-(ethoxycarbonyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D278-0138
4-{[5-(ethoxycarbonyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}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

D278-0138

Molecular Formula

C15H15N3O4S (C15 H15 N3 O4 S)

Compound Name

4-{[5-(ethoxycarbonyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoic acid

IUPAC name

4-{[5-(ethoxycarbonyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoic acid

SMILES

CCOC(c(cn1)c(Nc(cc2)ccc2C(O)=O)nc1SC)=O

InChI

InChI=1S/C15H15N3O4S/c1-3-22-14(21)11-8-16-15(23-2)18-12(11)17-10-6-4-9(5-7-10)13(19)20/h4-8H,3H2,1-2H3,(H,19,20)(H,16,17,18)

InChI Key

PJVAGYIWULXFFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01569265

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

333.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.496

Distribution Coefficient, logD

1.101

Water Solubility, LogSw

-3.57

Polar Surface Area

76.767

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D278-0138 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D278-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D278-0138?
Check Price and Availability of D278-0138, 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 D278-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D278-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D278-0138
  • 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 D278-0138 available by request