6601-0029 Screening compound: 2-{2,5-dioxo-octahydro-[1,3]diazolo[4,5-d]imidazol-1-yl}-N-propylacetamide

6601-0029 Screening compound: 2-{2,5-dioxo-octahydro-[1,3]diazolo[4,5-d]imidazol-1-yl}-N-propylacetamide
6601-0029 Screening compound: 2-{2,5-dioxo-octahydro-[1,3]diazolo[4,5-d]imidazol-1-yl}-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6601-0029
2-{2,5-dioxo-octahydro-[1,3]diazolo[4,5-d]imidazol-1-yl}-N-propylacetamide

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

6601-0029

Molecular Formula

C9H15N5O3 (C9 H15 N5 O3)

Compound Name

2-{2,5-dioxo-octahydro-[1,3]diazolo[4,5-d]imidazol-1-yl}-N-propylacetamide

IUPAC name

2-{25-dioxo-octahydro-[13]diazolo[45-d]imidazol-1-yl}-N-propylacetamide

SMILES

CCCNC(CN(C(C(N1)N2)NC1=O)C2=O)=O

InChI

InChI=1S/C9H15N5O3/c1-2-3-10-5(15)4-14-7-6(12-9(14)17)11-8(16)13-7/h6-7H,2-4H2,1H3,(H,10,15)(H,12,17)(H2,11,13,16)

InChI Key

PYMDLZZELCKZQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03923813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

241.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-1.270

Distribution Coefficient, logD

-1.270

Water Solubility, LogSw

-0.92

Polar Surface Area

88.343

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.70

6601-0029 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6601-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6601-0029?
Check Price and Availability of 6601-0029, 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 6601-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6601-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6601-0029
  • 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 6601-0029 available by request