3455-3271 Screening compound: 1,3-dimethyl 5-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamido]benzene-1,3-dicarboxylate

3455-3271 Screening compound: 1,3-dimethyl 5-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamido]benzene-1,3-dicarboxylate
3455-3271 Screening compound: 1,3-dimethyl 5-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamido]benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3455-3271
1,3-dimethyl 5-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamido]benzene-1,3-dicarboxylate

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

3455-3271

Molecular Formula

C19H19N5O7 (C19 H19 N5 O7)

Compound Name

1,3-dimethyl 5-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamido]benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-[2-(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)acetamido]benzene-13-dicarboxylate

SMILES

CN(c1c(C(N2C)=O)n(CC(Nc3cc(C(OC)=O)cc(C(OC)=O)c3)=O)cn1)C2=O

InChI

InChI=1S/C19H19N5O7/c1-22-15-14(16(26)23(2)19(22)29)24(9-20-15)8-13(25)21-12-6-10(17(27)30-3)5-11(7-12)18(28)31-4/h5-7,9H,8H2,1-4H3,(H,21,25)

InChI Key

GCWJNBYIPXYYRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01993435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.39

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.495

Distribution Coefficient, logD

1.495

Water Solubility, LogSw

-2.28

Polar Surface Area

108.458

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with 3455-3271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3455-3271?
Check Price and Availability of 3455-3271, 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 3455-3271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3455-3271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3455-3271
  • 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 3455-3271 available by request