4177-0005 Screening compound: 1,3,4,5,6,8-HEXAMETHYLHEXAHYDROPYRIMIDO[4,5-D]PYRIMIDINE-2,7(1H,3H)-DIONE

4177-0005 Screening compound: 1,3,4,5,6,8-HEXAMETHYLHEXAHYDROPYRIMIDO[4,5-D]PYRIMIDINE-2,7(1H,3H)-DIONE
4177-0005 Screening compound: 1,3,4,5,6,8-HEXAMETHYLHEXAHYDROPYRIMIDO[4,5-D]PYRIMIDINE-2,7(1H,3H)-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4177-0005
1,3,4,5,6,8-HEXAMETHYLHEXAHYDROPYRIMIDO[4,5-D]PYRIMIDINE-2,7(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

4177-0005

Molecular Formula

C12H22N4O2 (C12 H22 N4 O2)

Compound Name

1,3,4,5,6,8-HEXAMETHYLHEXAHYDROPYRIMIDO[4,5-D]PYRIMIDINE-2,7(1H,3H)-DIONE

IUPAC name

n/a

SMILES

CC(C(C(C)N1C)C(N2C)N(C)C1=O)N(C)C2=O

InChI

InChI=1S/C12H22N4O2/c1-7-9-8(2)14(4)12(18)16(6)10(9)15(5)11(17)13(7)3/h7-10H,1-6H3

InChI Key

IPCWYXAIQSTRTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00779133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.266

Distribution Coefficient, logD

0.266

Water Solubility, LogSw

0.04

Polar Surface Area

35.952

Acid Dissociation Constant (pKa)

26.31

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

10.00

4177-0005 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4177-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4177-0005?
Check Price and Availability of 4177-0005, 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 4177-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4177-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4177-0005
  • 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 4177-0005 available by request