F848-0505 Screening compound: 1-[4-(azepan-1-yl)-4-oxobutyl]-N,N-diethyl-1H-1,2,3-benzotriazole-5-sulfonamide

F848-0505 Screening compound: 1-[4-(azepan-1-yl)-4-oxobutyl]-N,N-diethyl-1H-1,2,3-benzotriazole-5-sulfonamide
F848-0505 Screening compound: 1-[4-(azepan-1-yl)-4-oxobutyl]-N,N-diethyl-1H-1,2,3-benzotriazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F848-0505
1-[4-(azepan-1-yl)-4-oxobutyl]-N,N-diethyl-1H-1,2,3-benzotriazole-5-sulfonamide

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

F848-0505

Molecular Formula

C20H31N5O3S (C20 H31 N5 O3 S)

Compound Name

1-[4-(azepan-1-yl)-4-oxobutyl]-N,N-diethyl-1H-1,2,3-benzotriazole-5-sulfonamide

IUPAC name

1-[4-(azepan-1-yl)-4-oxobutyl]-NN-diethyl-1H-123-benzotriazole-5-sulfonamide

SMILES

CCN(CC)S(c(cc1)cc2c1n(CCCC(N1CCCCCC1)=O)nn2)(=O)=O

InChI

InChI=1S/C20H31N5O3S/c1-3-24(4-2)29(27,28)17-11-12-19-18(16-17)21-22-25(19)15-9-10-20(26)23-13-7-5-6-8-14-23/h11-12,16H,3-10,13-15H2,1-2H3

InChI Key

BPUFKUHERYUTJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27199689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.951

Distribution Coefficient, logD

1.951

Water Solubility, LogSw

-2.53

Polar Surface Area

73.463

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

F848-0505 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F848-0505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F848-0505?
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What is the minimum amount of F848-0505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F848-0505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F848-0505
  • 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 F848-0505 available by request