F848-0202 Screening compound: N-[3-(methylsulfanyl)phenyl]-4-[5-(piperidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]butanamide

F848-0202 Screening compound: N-[3-(methylsulfanyl)phenyl]-4-[5-(piperidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]butanamide
F848-0202 Screening compound: N-[3-(methylsulfanyl)phenyl]-4-[5-(piperidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F848-0202
N-[3-(methylsulfanyl)phenyl]-4-[5-(piperidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]butanamide

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

F848-0202

Molecular Formula

C22H27N5O3S2 (C22 H27 N5 O3 S2)

Compound Name

N-[3-(methylsulfanyl)phenyl]-4-[5-(piperidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]butanamide

IUPAC name

N-[3-(methylsulfanyl)phenyl]-4-[5-(piperidine-1-sulfonyl)-1H-123-benzotriazol-1-yl]butanamide

SMILES

CSc1cccc(NC(CCCn2nnc3c2ccc(S(N2CCCCC2)(=O)=O)c3)=O)c1

InChI

InChI=1S/C22H27N5O3S2/c1-31-18-8-5-7-17(15-18)23-22(28)9-6-14-27-21-11-10-19(16-20(21)24-25-27)32(29,30)26-12-3-2-4-13-26/h5,7-8,10-11,15-16H,2-4,6,9,12-14H2,1H3,(H,23,28)

InChI Key

KXAAIIJQMDELAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27199560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.683

Distribution Coefficient, logD

2.683

Water Solubility, LogSw

-3.27

Polar Surface Area

80.503

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

F848-0202 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F848-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F848-0202?
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What is the minimum amount of F848-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F848-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F848-0202
  • 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 F848-0202 available by request