5795-0012 Screening compound: 1-[1-(4-bromobenzenesulfonyl)pyrrolidine-2-carbonyl]-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole

5795-0012 Screening compound: 1-[1-(4-bromobenzenesulfonyl)pyrrolidine-2-carbonyl]-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole
5795-0012 Screening compound: 1-[1-(4-bromobenzenesulfonyl)pyrrolidine-2-carbonyl]-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5795-0012
1-[1-(4-bromobenzenesulfonyl)pyrrolidine-2-carbonyl]-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole

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

5795-0012

Molecular Formula

C22H22BrN3O3S2 (C22 H22 BrN3 O3 S2)

Compound Name

1-[1-(4-bromobenzenesulfonyl)pyrrolidine-2-carbonyl]-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole

IUPAC name

1-[1-(4-bromobenzenesulfonyl)pyrrolidine-2-carbonyl]-35-dimethyl-4-(phenylsulfanyl)-1H-pyrazole

SMILES

Cc(n(C(C(CCC1)N1S(c(cc1)ccc1Br)(=O)=O)=O)nc1C)c1Sc1ccccc1

InChI

InChI=1S/C22H22BrN3O3S2/c1-15-21(30-18-7-4-3-5-8-18)16(2)26(24-15)22(27)20-9-6-14-25(20)31(28,29)19-12-10-17(23)11-13-19/h3-5,7-8,10-13,20H,6,9,14H2,1-2H3/t20-/m0/s1

InChI Key

GQVYTNJWCUAVBU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03029176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.880

Distribution Coefficient, logD

3.880

Water Solubility, LogSw

-3.95

Polar Surface Area

60.129

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

5795-0012 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5795-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5795-0012?
Check Price and Availability of 5795-0012, 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 5795-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5795-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5795-0012
  • 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 5795-0012 available by request