0330-0168 Screening compound: N-butyl-N'-[3-(4-nitrophenyl)-3-oxo-1-(trichloromethyl)propyl]urea

0330-0168 Screening compound: N-butyl-N'-[3-(4-nitrophenyl)-3-oxo-1-(trichloromethyl)propyl]urea
0330-0168 Screening compound: N-butyl-N'-[3-(4-nitrophenyl)-3-oxo-1-(trichloromethyl)propyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 0330-0168
N-butyl-N'-[3-(4-nitrophenyl)-3-oxo-1-(trichloromethyl)propyl]urea

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

0330-0168

Molecular Formula

C15H18Cl3N3O4 (C15 H18 Cl3 N3 O4)

Compound Name

N-butyl-N'-[3-(4-nitrophenyl)-3-oxo-1-(trichloromethyl)propyl]urea

IUPAC name

3-butyl-1-[111-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]urea

SMILES

CCCCNC(NC(CC(c(cc1)ccc1[N+]([O-])=O)=O)C(Cl)(Cl)Cl)=O

InChI

InChI=1S/C15H18Cl3N3O4/c1-2-3-8-19-14(23)20-13(15(16,17)18)9-12(22)10-4-6-11(7-5-10)21(24)25/h4-7,13H,2-3,8-9H2,1H3,(H2,19,20,23)/t13-/m0/s1

InChI Key

MGQBJJPGRYGEFR-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD00985116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.824

Distribution Coefficient, logD

3.824

Water Solubility, LogSw

-4.38

Polar Surface Area

81.558

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

References: we are preparing a list of scientific research reports with 0330-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0330-0168?
Check Price and Availability of 0330-0168, 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 0330-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0330-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0330-0168
  • 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 0330-0168 available by request