4541-1757 Screening compound: 2-{5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline

4541-1757 Screening compound: 2-{5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline
4541-1757 Screening compound: 2-{5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4541-1757
2-{5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline

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

4541-1757

Molecular Formula

C21H26N4O4S (C21 H26 N4 O4 S)

Compound Name

2-{5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-1234-tetrahydroisoquinoline

SMILES

CCS(N(CC1)CCN1c(cc1)cc(N(CC2)Cc3c2cccc3)c1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C21H26N4O4S/c1-2-30(28,29)24-13-11-22(12-14-24)19-7-8-20(25(26)27)21(15-19)23-10-9-17-5-3-4-6-18(17)16-23/h3-8,15H,2,9-14,16H2,1H3

InChI Key

YYOGVCIKSJGZJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03017565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.307

Distribution Coefficient, logD

3.307

Water Solubility, LogSw

-3.79

Polar Surface Area

71.270

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 4541-1757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4541-1757?
Check Price and Availability of 4541-1757, 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 4541-1757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4541-1757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4541-1757
  • 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 4541-1757 available by request