3455-3291 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-(4-nitrophenyl)acetamide

3455-3291 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-(4-nitrophenyl)acetamide
3455-3291 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-(4-nitrophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3455-3291
2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-(4-nitrophenyl)acetamide

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

3455-3291

Molecular Formula

C15H14N6O5 (C15 H14 N6 O5)

Compound Name

2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-(4-nitrophenyl)acetamide

IUPAC name

2-(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)-N-(4-nitrophenyl)acetamide

SMILES

CN(c1c(C(N2C)=O)n(CC(Nc(cc3)ccc3[N+]([O-])=O)=O)cn1)C2=O

InChI

InChI=1S/C15H14N6O5/c1-18-13-12(14(23)19(2)15(18)24)20(8-16-13)7-11(22)17-9-3-5-10(6-4-9)21(25)26/h3-6,8H,7H2,1-2H3,(H,17,22)

InChI Key

COUSVNDSKHBOSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01993455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.31

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.932

Distribution Coefficient, logD

0.930

Water Solubility, LogSw

-2.39

Polar Surface Area

99.491

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3455-3291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3455-3291?
Check Price and Availability of 3455-3291, 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 3455-3291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3455-3291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3455-3291
  • 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 3455-3291 available by request