8017-9517 Screening compound: 1,3-dimethyl-7-(4-methylphenyl)[1,3]oxazolo[2,3-f]purine-2,4(1H,3H)-dione

8017-9517 Screening compound: 1,3-dimethyl-7-(4-methylphenyl)[1,3]oxazolo[2,3-f]purine-2,4(1H,3H)-dione
8017-9517 Screening compound: 1,3-dimethyl-7-(4-methylphenyl)[1,3]oxazolo[2,3-f]purine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9517
1,3-dimethyl-7-(4-methylphenyl)[1,3]oxazolo[2,3-f]purine-2,4(1H,3H)-dione

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

8017-9517

Molecular Formula

C16H14N4O3 (C16 H14 N4 O3)

Compound Name

1,3-dimethyl-7-(4-methylphenyl)[1,3]oxazolo[2,3-f]purine-2,4(1H,3H)-dione

IUPAC name

13-dimethyl-7-(4-methylphenyl)-1H2H3H4H-[13]oxazolo[32-g]purine-24-dione

SMILES

Cc(cc1)ccc1-c(o1)cn2c1nc(N(C)C(N1C)=O)c2C1=O

InChI

InChI=1S/C16H14N4O3/c1-9-4-6-10(7-5-9)11-8-20-12-13(17-15(20)23-11)18(2)16(22)19(3)14(12)21/h4-8H,1-3H3

InChI Key

RZERUBONRUIDLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06619428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.498

Distribution Coefficient, logD

2.498

Water Solubility, LogSw

-2.64

Polar Surface Area

50.690

Acid Dissociation Constant (pKa)

28.64

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

References: we are preparing a list of scientific research reports with 8017-9517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9517?
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What is the minimum amount of 8017-9517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9517
  • 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 8017-9517 available by request