F848-0174 Screening compound: 4-[5-(piperidinosulfonyl)-1H-1,2,3-benzotriazol-1-yl]-1-(1-pyrrolidinyl)-1-butanone

F848-0174 Screening compound: 4-[5-(piperidinosulfonyl)-1H-1,2,3-benzotriazol-1-yl]-1-(1-pyrrolidinyl)-1-butanone
F848-0174 Screening compound: 4-[5-(piperidinosulfonyl)-1H-1,2,3-benzotriazol-1-yl]-1-(1-pyrrolidinyl)-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F848-0174
4-[5-(piperidinosulfonyl)-1H-1,2,3-benzotriazol-1-yl]-1-(1-pyrrolidinyl)-1-butanone

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

F848-0174

Molecular Formula

C19H27N5O3S (C19 H27 N5 O3 S)

Compound Name

4-[5-(piperidinosulfonyl)-1H-1,2,3-benzotriazol-1-yl]-1-(1-pyrrolidinyl)-1-butanone

IUPAC name

4-[5-(piperidine-1-sulfonyl)-1H-123-benzotriazol-1-yl]-1-(pyrrolidin-1-yl)butan-1-one

SMILES

O=C(CCCn1nnc2c1ccc(S(N1CCCCC1)(=O)=O)c2)N1CCCC1

InChI

InChI=1S/C19H27N5O3S/c25-19(22-10-4-5-11-22)7-6-14-24-18-9-8-16(15-17(18)20-21-24)28(26,27)23-12-2-1-3-13-23/h8-9,15H,1-7,10-14H2

InChI Key

TUSTUWGWJDRXAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27199540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.409

Distribution Coefficient, logD

1.409

Water Solubility, LogSw

-2.40

Polar Surface Area

74.112

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.16

F848-0174 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F848-0174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F848-0174?
Check Price and Availability of F848-0174, 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 F848-0174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F848-0174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F848-0174
  • 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 F848-0174 available by request