5251-0154 Screening compound: methyl 4-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)methyl]benzoate

5251-0154 Screening compound: methyl 4-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)methyl]benzoate
5251-0154 Screening compound: methyl 4-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5251-0154
methyl 4-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)methyl]benzoate

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

5251-0154

Molecular Formula

C16H16N4O4 (C16 H16 N4 O4)

Compound Name

methyl 4-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)methyl]benzoate

IUPAC name

methyl 4-[(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)methyl]benzoate

SMILES

CN(c1c(C(N2C)=O)n(Cc(cc3)ccc3C(OC)=O)cn1)C2=O

InChI

InChI=1S/C16H16N4O4/c1-18-13-12(14(21)19(2)16(18)23)20(9-17-13)8-10-4-6-11(7-5-10)15(22)24-3/h4-7,9H,8H2,1-3H3

InChI Key

XSDQSNJZWKXZDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03080110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.467

Distribution Coefficient, logD

1.467

Water Solubility, LogSw

-1.91

Polar Surface Area

64.134

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 5251-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5251-0154?
Check Price and Availability of 5251-0154, 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 5251-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5251-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5251-0154
  • 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 5251-0154 available by request