F848-0064 Screening compound: N-(2,5-dimethoxyphenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]butanamide

F848-0064 Screening compound: N-(2,5-dimethoxyphenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]butanamide
F848-0064 Screening compound: N-(2,5-dimethoxyphenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F848-0064
N-(2,5-dimethoxyphenyl)-4-[5-(pyrrolidine-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

F848-0064

Molecular Formula

C22H27N5O5S (C22 H27 N5 O5 S)

Compound Name

N-(2,5-dimethoxyphenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]butanamide

IUPAC name

N-(25-dimethoxyphenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-123-benzotriazol-1-yl]butanamide

SMILES

COc(cc1)cc(NC(CCCn2nnc3c2ccc(S(N2CCCC2)(=O)=O)c3)=O)c1OC

InChI

InChI=1S/C22H27N5O5S/c1-31-16-7-10-21(32-2)19(14-16)23-22(28)6-5-13-27-20-9-8-17(15-18(20)24-25-27)33(29,30)26-11-3-4-12-26/h7-10,14-15H,3-6,11-13H2,1-2H3,(H,23,28)

InChI Key

WDRVZWAILMPPCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27199464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.575

Distribution Coefficient, logD

1.572

Water Solubility, LogSw

-2.56

Polar Surface Area

95.346

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

F848-0064 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 F848-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F848-0064?
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What is the minimum amount of F848-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F848-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F848-0064
  • 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 F848-0064 available by request