3773-0338 Screening compound: dibenzyl({2-hydroxy-3-[N-(3-nitrophenyl)4-methylbenzenesulfonamido]propyl})amine

3773-0338 Screening compound: dibenzyl({2-hydroxy-3-[N-(3-nitrophenyl)4-methylbenzenesulfonamido]propyl})amine
3773-0338 Screening compound: dibenzyl({2-hydroxy-3-[N-(3-nitrophenyl)4-methylbenzenesulfonamido]propyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3773-0338
dibenzyl({2-hydroxy-3-[N-(3-nitrophenyl)4-methylbenzenesulfonamido]propyl})amine

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

3773-0338

Molecular Formula

C30H31N3O5S (C30 H31 N3 O5 S)

Compound Name

dibenzyl({2-hydroxy-3-[N-(3-nitrophenyl)4-methylbenzenesulfonamido]propyl})amine

IUPAC name

dibenzyl({2-hydroxy-3-[N-(3-nitrophenyl)4-methylbenzenesulfonamido]propyl})amine

SMILES

Cc(cc1)ccc1S(N(CC(CN(Cc1ccccc1)Cc1ccccc1)O)c1cc([N+]([O-])=O)ccc1)(=O)=O

InChI

InChI=1S/C30H31N3O5S/c1-24-15-17-30(18-16-24)39(37,38)32(27-13-8-14-28(19-27)33(35)36)23-29(34)22-31(20-25-9-4-2-5-10-25)21-26-11-6-3-7-12-26/h2-19,29,34H,20-23H2,1H3/t29-/m0/s1

InChI Key

PSRUPYSTPPRIPQ-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD01408284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.519

Distribution Coefficient, logD

5.500

Water Solubility, LogSw

-5.48

Polar Surface Area

85.505

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

3773-0338 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 3773-0338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3773-0338?
Check Price and Availability of 3773-0338, 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 3773-0338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3773-0338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3773-0338
  • 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 3773-0338 available by request