1571-0001 Screening compound: 4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-nitrobenzamide

1571-0001 Screening compound: 4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-nitrobenzamide
1571-0001 Screening compound: 4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1571-0001
4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-nitrobenzamide

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

1571-0001

Molecular Formula

C17H26N4O4 (C17 H26 N4 O4)

Compound Name

4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-nitrobenzamide

IUPAC name

4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-nitrobenzamide

SMILES

CCN1C(CNC(c(c(OC)c2)cc([N+]([O-])=O)c2N(C)C)=O)CCC1

InChI

InChI=1S/C17H26N4O4/c1-5-20-8-6-7-12(20)11-18-17(22)13-9-15(21(23)24)14(19(2)3)10-16(13)25-4/h9-10,12H,5-8,11H2,1-4H3,(H,18,22)/t12-/m1/s1

InChI Key

AFNPLUMDSLEAPD-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD01243524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.382

Distribution Coefficient, logD

1.842

Water Solubility, LogSw

-2.86

Polar Surface Area

71.773

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

1571-0001 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1571-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1571-0001?
Check Price and Availability of 1571-0001, 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 1571-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1571-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1571-0001
  • 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 1571-0001 available by request