C393-0003 Screening compound: ethyl 6-[5-(chloromethyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl]-6-oxohexanoate

C393-0003 Screening compound: ethyl 6-[5-(chloromethyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl]-6-oxohexanoate
C393-0003 Screening compound: ethyl 6-[5-(chloromethyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl]-6-oxohexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C393-0003
ethyl 6-[5-(chloromethyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl]-6-oxohexanoate

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

C393-0003

Molecular Formula

C12H17ClN2O4 (C12 H17 ClN2 O4)

Compound Name

ethyl 6-[5-(chloromethyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl]-6-oxohexanoate

IUPAC name

ethyl 6-[5-(chloromethyl)-2-oxo-23-dihydro-1H-imidazol-4-yl]-6-oxohexanoate

SMILES

CCOC(CCCCC(C(N1)=C(CCl)NC1=O)=O)=O

InChI

InChI=1S/C12H17ClN2O4/c1-2-19-10(17)6-4-3-5-9(16)11-8(7-13)14-12(18)15-11/h2-7H2,1H3,(H2,14,15,18)

InChI Key

TXIZKWMDPPGSHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00138067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.73

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.033

Distribution Coefficient, logD

-3.692

Water Solubility, LogSw

-1.61

Polar Surface Area

69.510

Acid Dissociation Constant (pKa)

2.67

Base Dissociation Constant (pKb)

-9.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

References: we are preparing a list of scientific research reports with C393-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C393-0003?
Check Price and Availability of C393-0003, 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 C393-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C393-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C393-0003
  • 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 C393-0003 available by request