F848-0052 Screening compound: 4-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]-1-(1,2,3,4-tetrahydroquinolin-1-yl)butan-1-one

F848-0052 Screening compound: 4-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]-1-(1,2,3,4-tetrahydroquinolin-1-yl)butan-1-one
F848-0052 Screening compound: 4-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]-1-(1,2,3,4-tetrahydroquinolin-1-yl)butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F848-0052
4-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]-1-(1,2,3,4-tetrahydroquinolin-1-yl)butan-1-one

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

F848-0052

Molecular Formula

C23H27N5O3S (C23 H27 N5 O3 S)

Compound Name

4-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]-1-(1,2,3,4-tetrahydroquinolin-1-yl)butan-1-one

IUPAC name

4-[5-(pyrrolidine-1-sulfonyl)-1H-123-benzotriazol-1-yl]-1-(1234-tetrahydroquinolin-1-yl)butan-1-one

SMILES

O=C(CCCn1nnc2c1ccc(S(N1CCCC1)(=O)=O)c2)N(CCC1)c2c1cccc2

InChI

InChI=1S/C23H27N5O3S/c29-23(27-15-5-8-18-7-1-2-9-21(18)27)10-6-16-28-22-12-11-19(17-20(22)24-25-28)32(30,31)26-13-3-4-14-26/h1-2,7,9,11-12,17H,3-6,8,10,13-16H2

InChI Key

FHBKVGIYZJSVIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27199455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.57

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

2.724

Distribution Coefficient, logD

2.724

Water Solubility, LogSw

-3.30

Polar Surface Area

72.777

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

F848-0052 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with F848-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F848-0052?
Check Price and Availability of F848-0052, 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 F848-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F848-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F848-0052
  • 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 F848-0052 available by request