8014-1747 Screening compound: 1-(4-chloro-3-nitrobenzoyl)tetrahydro-2H-imidazol-2-one

8014-1747 Screening compound: 1-(4-chloro-3-nitrobenzoyl)tetrahydro-2H-imidazol-2-one
8014-1747 Screening compound: 1-(4-chloro-3-nitrobenzoyl)tetrahydro-2H-imidazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1747
1-(4-chloro-3-nitrobenzoyl)tetrahydro-2H-imidazol-2-one

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

8014-1747

Molecular Formula

C10H8ClN3O4 (C10 H8 ClN3 O4)

Compound Name

1-(4-chloro-3-nitrobenzoyl)tetrahydro-2H-imidazol-2-one

IUPAC name

1-(4-chloro-3-nitrobenzoyl)imidazolidin-2-one

SMILES

[O-][N+](c(cc(cc1)C(N(CCN2)C2=O)=O)c1Cl)=O

InChI

InChI=1S/C10H8ClN3O4/c11-7-2-1-6(5-8(7)14(17)18)9(15)13-4-3-12-10(13)16/h1-2,5H,3-4H2,(H,12,16)

InChI Key

RORGBHAMQUCTTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.956

Distribution Coefficient, logD

0.956

Water Solubility, LogSw

-2.72

Polar Surface Area

74.532

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

-3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8014-1747 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 8014-1747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1747?
Check Price and Availability of 8014-1747, 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 8014-1747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1747
  • 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 8014-1747 available by request