D278-0388 Screening compound: 3-{[2-(methylsulfanyl)-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl]amino}phenol

D278-0388 Screening compound: 3-{[2-(methylsulfanyl)-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl]amino}phenol
D278-0388 Screening compound: 3-{[2-(methylsulfanyl)-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl]amino}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound D278-0388
3-{[2-(methylsulfanyl)-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl]amino}phenol

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

D278-0388

Molecular Formula

C14H15N3OS (C14 H15 N3 OS)

Compound Name

3-{[2-(methylsulfanyl)-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl]amino}phenol

IUPAC name

3-{[2-(methylsulfanyl)-5H6H7H-cyclopenta[d]pyrimidin-4-yl]amino}phenol

SMILES

CSc1nc(Nc2cc(O)ccc2)c(CCC2)c2n1

InChI

InChI=1S/C14H15N3OS/c1-19-14-16-12-7-3-6-11(12)13(17-14)15-9-4-2-5-10(18)8-9/h2,4-5,8,18H,3,6-7H2,1H3,(H,15,16,17)

InChI Key

IITZBGYXTZSCLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09262705

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

273.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.372

Distribution Coefficient, logD

3.276

Water Solubility, LogSw

-3.36

Polar Surface Area

46.488

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D278-0388 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

CNS Targets (44014 compounds)

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Infections
  • Immune system
  • animal
Structure:
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D278-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D278-0388?
Check Price and Availability of D278-0388, 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 D278-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D278-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D278-0388
  • 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 D278-0388 available by request