4510-0041 Screening compound: 1-(2-hydroxyethyl)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione

4510-0041 Screening compound: 1-(2-hydroxyethyl)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
4510-0041 Screening compound: 1-(2-hydroxyethyl)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4510-0041
1-(2-hydroxyethyl)tetrahydroimidazo[4,5-d]imidazole-2,5(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

4510-0041

Molecular Formula

C6H10N4O3 (C6 H10 N4 O3)

Compound Name

1-(2-hydroxyethyl)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione

IUPAC name

1-(2-hydroxyethyl)-octahydro-[13]diazolo[45-d]imidazole-25-dione

SMILES

OCCN(C(C(N1)N2)NC1=O)C2=O

InChI

InChI=1S/C6H10N4O3/c11-2-1-10-4-3(8-6(10)13)7-5(12)9-4/h3-4,11H,1-2H2,(H,8,13)(H2,7,9,12)

InChI Key

PKNZKKFFNYKLBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01087413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

186.17

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-1.670

Distribution Coefficient, logD

-1.670

Water Solubility, LogSw

-0.89

Polar Surface Area

80.664

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

4510-0041 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4510-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4510-0041?
Check Price and Availability of 4510-0041, 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 4510-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4510-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4510-0041
  • 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 4510-0041 available by request