D306-0395 Screening compound: 4-{[(3-bromophenyl)methyl]sulfanyl}-2-methyl-5H,6H,7H-cyclopenta[d]pyrimidine

D306-0395 Screening compound: 4-{[(3-bromophenyl)methyl]sulfanyl}-2-methyl-5H,6H,7H-cyclopenta[d]pyrimidine
D306-0395 Screening compound: 4-{[(3-bromophenyl)methyl]sulfanyl}-2-methyl-5H,6H,7H-cyclopenta[d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D306-0395
4-{[(3-bromophenyl)methyl]sulfanyl}-2-methyl-5H,6H,7H-cyclopenta[d]pyrimidine

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

D306-0395

Molecular Formula

C15H15BrN2S (C15 H15 BrN2 S)

Compound Name

4-{[(3-bromophenyl)methyl]sulfanyl}-2-methyl-5H,6H,7H-cyclopenta[d]pyrimidine

IUPAC name

4-{[(3-bromophenyl)methyl]sulfanyl}-2-methyl-5H6H7H-cyclopenta[d]pyrimidine

SMILES

Cc1nc(CCC2)c2c(SCc2cccc(Br)c2)n1

InChI

InChI=1S/C15H15BrN2S/c1-10-17-14-7-3-6-13(14)15(18-10)19-9-11-4-2-5-12(16)8-11/h2,4-5,8H,3,6-7,9H2,1H3

InChI Key

INXJYRZZMCQSAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10480179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.472

Distribution Coefficient, logD

4.455

Water Solubility, LogSw

-4.49

Polar Surface Area

20.070

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D306-0395 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
  • Agro
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D306-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D306-0395?
Check Price and Availability of D306-0395, 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 D306-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D306-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D306-0395
  • 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 D306-0395 available by request