3610-1221 Screening compound: 4-{2-[4-(2-chlorobenzoyl)piperazin-1-yl]-5-nitrobenzenesulfonyl}morpholine

3610-1221 Screening compound: 4-{2-[4-(2-chlorobenzoyl)piperazin-1-yl]-5-nitrobenzenesulfonyl}morpholine
3610-1221 Screening compound: 4-{2-[4-(2-chlorobenzoyl)piperazin-1-yl]-5-nitrobenzenesulfonyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3610-1221
4-{2-[4-(2-chlorobenzoyl)piperazin-1-yl]-5-nitrobenzenesulfonyl}morpholine

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

3610-1221

Molecular Formula

C21H23ClN4O6S (C21 H23 ClN4 O6 S)

Compound Name

4-{2-[4-(2-chlorobenzoyl)piperazin-1-yl]-5-nitrobenzenesulfonyl}morpholine

IUPAC name

4-{2-[4-(2-chlorobenzoyl)piperazin-1-yl]-5-nitrobenzenesulfonyl}morpholine

SMILES

[O-][N+](c(cc1)cc(S(N2CCOCC2)(=O)=O)c1N(CC1)CCN1C(c(cccc1)c1Cl)=O)=O

InChI

InChI=1S/C21H23ClN4O6S/c22-18-4-2-1-3-17(18)21(27)24-9-7-23(8-10-24)19-6-5-16(26(28)29)15-20(19)33(30,31)25-11-13-32-14-12-25/h1-6,15H,7-14H2

InChI Key

VTGJMYBVFPNDGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02222096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.96

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.427

Distribution Coefficient, logD

2.427

Water Solubility, LogSw

-3.43

Polar Surface Area

92.847

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

3610-1221 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 3610-1221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3610-1221?
Check Price and Availability of 3610-1221, 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 3610-1221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3610-1221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3610-1221
  • 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 3610-1221 available by request