4364-0157 Screening compound: 4-[(dimethylamino)methyl]-2-nitrophenyl N,N-dimethylcarbamate

4364-0157 Screening compound: 4-[(dimethylamino)methyl]-2-nitrophenyl N,N-dimethylcarbamate
4364-0157 Screening compound: 4-[(dimethylamino)methyl]-2-nitrophenyl N,N-dimethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4364-0157
4-[(dimethylamino)methyl]-2-nitrophenyl N,N-dimethylcarbamate

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

4364-0157

Molecular Formula

C12H17N3O4 (C12 H17 N3 O4)

Compound Name

4-[(dimethylamino)methyl]-2-nitrophenyl N,N-dimethylcarbamate

IUPAC name

4-[(dimethylamino)methyl]-2-nitrophenyl NN-dimethylcarbamate

SMILES

CN(C)Cc(cc1)cc([N+]([O-])=O)c1OC(N(C)C)=O

InChI

InChI=1S/C12H17N3O4/c1-13(2)8-9-5-6-11(10(7-9)15(17)18)19-12(16)14(3)4/h5-7H,8H2,1-4H3

InChI Key

UKFQFXXEDHLNRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03142010

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

267.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.607

Distribution Coefficient, logD

0.113

Water Solubility, LogSw

-1.92

Polar Surface Area

59.242

Acid Dissociation Constant (pKa)

29.51

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with 4364-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4364-0157?
Check Price and Availability of 4364-0157, 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 4364-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4364-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4364-0157
  • 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 4364-0157 available by request