Y600-4630 Screening compound: 5-nitro-2-(1-pyrrolidinyl)benzonitrile

Y600-4630 Screening compound: 5-nitro-2-(1-pyrrolidinyl)benzonitrile
Y600-4630 Screening compound: 5-nitro-2-(1-pyrrolidinyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-4630
5-nitro-2-(1-pyrrolidinyl)benzonitrile

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

Y600-4630

Molecular Formula

C11H11N3O2 (C11 H11 N3 O2)

Compound Name

5-nitro-2-(1-pyrrolidinyl)benzonitrile

IUPAC name

5-nitro-2-(pyrrolidin-1-yl)benzonitrile

SMILES

N#Cc(cc(cc1)[N+]([O-])=O)c1N1CCCC1

InChI

InChI=1S/C11H11N3O2/c12-8-9-7-10(14(15)16)3-4-11(9)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2

InChI Key

LQNJKMAVTCVCCJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

217.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.389

Distribution Coefficient, logD

2.389

Water Solubility, LogSw

-2.86

Polar Surface Area

54.194

Acid Dissociation Constant (pKa)

27.06

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

References: we are preparing a list of scientific research reports with Y600-4630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-4630?
Check Price and Availability of Y600-4630, 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 Y600-4630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-4630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-4630
  • 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 Y600-4630 available by request