3448-3394 Screening compound: 2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetonitrile

3448-3394 Screening compound: 2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetonitrile
3448-3394 Screening compound: 2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-3394
2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetonitrile

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

3448-3394

Molecular Formula

C16H15N5O2S (C16 H15 N5 O2 S)

Compound Name

2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetonitrile

IUPAC name

2-[(7-benzyl-13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl)sulfanyl]acetonitrile

SMILES

CN(c1c(C(N2C)=O)n(Cc3ccccc3)c(SCC#N)n1)C2=O

InChI

InChI=1S/C16H15N5O2S/c1-19-13-12(14(22)20(2)16(19)23)21(15(18-13)24-9-8-17)10-11-6-4-3-5-7-11/h3-7H,9-10H2,1-2H3

InChI Key

OXCFRMWKDRUXIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02231233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.450

Distribution Coefficient, logD

2.450

Water Solubility, LogSw

-2.56

Polar Surface Area

60.778

Acid Dissociation Constant (pKa)

20.06

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3448-3394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-3394?
Check Price and Availability of 3448-3394, 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 3448-3394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-3394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-3394
  • 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 3448-3394 available by request