C692-0099 Screening compound: 7-butyl-3-methyl-8-[(morpholin-4-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C692-0099 Screening compound: 7-butyl-3-methyl-8-[(morpholin-4-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C692-0099 Screening compound: 7-butyl-3-methyl-8-[(morpholin-4-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C692-0099
7-butyl-3-methyl-8-[(morpholin-4-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

C692-0099

Molecular Formula

C15H23N5O3 (C15 H23 N5 O3)

Compound Name

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

IUPAC name

7-butyl-3-methyl-8-[(morpholin-4-yl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CCCCn1c(C(NC(N2C)=O)=O)c2nc1CN1CCOCC1

InChI

InChI=1S/C15H23N5O3/c1-3-4-5-20-11(10-19-6-8-23-9-7-19)16-13-12(20)14(21)17-15(22)18(13)2/h3-10H2,1-2H3,(H,17,21,22)

InChI Key

UBIQWHAQKLHFHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.938

Distribution Coefficient, logD

0.933

Water Solubility, LogSw

-1.73

Polar Surface Area

64.485

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

C692-0099 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C692-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C692-0099?
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What is the minimum amount of C692-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C692-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C692-0099
  • 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 C692-0099 available by request