C607-0951 Screening compound: N-(2-methyl-5-nitrobenzenesulfonyl)morpholine-4-carboximidamide

C607-0951 Screening compound: N-(2-methyl-5-nitrobenzenesulfonyl)morpholine-4-carboximidamide
C607-0951 Screening compound: N-(2-methyl-5-nitrobenzenesulfonyl)morpholine-4-carboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C607-0951
N-(2-methyl-5-nitrobenzenesulfonyl)morpholine-4-carboximidamide

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

C607-0951

Molecular Formula

C12H16N4O5S (C12 H16 N4 O5 S)

Compound Name

N-(2-methyl-5-nitrobenzenesulfonyl)morpholine-4-carboximidamide

IUPAC name

N-(2-methyl-5-nitrobenzenesulfonyl)morpholine-4-carboximidamide

SMILES

Cc(ccc([N+]([O-])=O)c1)c1S(NC(N1CCOCC1)=N)(=O)=O

InChI

InChI=1S/C12H16N4O5S/c1-9-2-3-10(16(17)18)8-11(9)22(19,20)14-12(13)15-4-6-21-7-5-15/h2-3,8H,4-7H2,1H3,(H2,13,14)

InChI Key

RJVHSUNFJLKMAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.753

Distribution Coefficient, logD

0.753

Water Solubility, LogSw

-2.40

Polar Surface Area

103.288

Acid Dissociation Constant (pKa)

6.75

Base Dissociation Constant (pKb)

6.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C607-0951 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C607-0951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C607-0951?
Check Price and Availability of C607-0951, 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 C607-0951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C607-0951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C607-0951
  • 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 C607-0951 available by request