7741-2685 Screening compound: 1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-8-[(piperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7741-2685 Screening compound: 1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-8-[(piperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7741-2685 Screening compound: 1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-8-[(piperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7741-2685
1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-8-[(piperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-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

7741-2685

Molecular Formula

C19H30N6O3 (C19 H30 N6 O3)

Compound Name

1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-8-[(piperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

13-dimethyl-7-[2-(morpholin-4-yl)ethyl]-8-[(piperidin-1-yl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(CCN3CCOCC3)c(CN3CCCCC3)n1)C2=O

InChI

InChI=1S/C19H30N6O3/c1-21-17-16(18(26)22(2)19(21)27)25(9-8-23-10-12-28-13-11-23)15(20-17)14-24-6-4-3-5-7-24/h3-14H2,1-2H3

InChI Key

ZOTZVWBYUQFIJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06407433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.787

Distribution Coefficient, logD

0.743

Water Solubility, LogSw

-0.43

Polar Surface Area

59.283

Acid Dissociation Constant (pKa)

23.33

Base Dissociation Constant (pKb)

6.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.70

7741-2685 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7741-2685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7741-2685?
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What is the minimum amount of 7741-2685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7741-2685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7741-2685
  • 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 7741-2685 available by request