Y031-7034 Screening compound: 2-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamido]-N-propylbenzamide

Y031-7034 Screening compound: 2-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamido]-N-propylbenzamide
Y031-7034 Screening compound: 2-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamido]-N-propylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-7034
2-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamido]-N-propylbenzamide

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

Y031-7034

Molecular Formula

C19H22N6O4 (C19 H22 N6 O4)

Compound Name

2-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamido]-N-propylbenzamide

IUPAC name

2-[2-(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)acetamido]-N-propylbenzamide

SMILES

CCCNC(c(cccc1)c1NC(Cn1c(C(N(C)C(N2C)=O)=O)c2nc1)=O)=O

InChI

InChI=1S/C19H22N6O4/c1-4-9-20-17(27)12-7-5-6-8-13(12)22-14(26)10-25-11-21-16-15(25)18(28)24(3)19(29)23(16)2/h5-8,11H,4,9-10H2,1-3H3,(H,20,27)(H,22,26)

InChI Key

QKJYHHCYRPUHDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07151213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.757

Distribution Coefficient, logD

0.756

Water Solubility, LogSw

-2.46

Polar Surface Area

89.938

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

Y031-7034 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y031-7034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-7034?
Check Price and Availability of Y031-7034, 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 Y031-7034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-7034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-7034
  • 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 Y031-7034 available by request