L322-0414 Screening compound: 4-tert-butyl-N-[6-(4-fluorobenzenesulfonyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide

L322-0414 Screening compound: 4-tert-butyl-N-[6-(4-fluorobenzenesulfonyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide
L322-0414 Screening compound: 4-tert-butyl-N-[6-(4-fluorobenzenesulfonyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L322-0414
4-tert-butyl-N-[6-(4-fluorobenzenesulfonyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide

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

L322-0414

Molecular Formula

C26H26FN3O4S (C26 H26 FN3 O4 S)

Compound Name

4-tert-butyl-N-[6-(4-fluorobenzenesulfonyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide

IUPAC name

4-tert-butyl-N-[6-(4-fluorobenzenesulfonyl)-13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl]benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc(cc(c(N1C)c2)N(C)C1=O)c2S(c(cc1)ccc1F)(=O)=O)=O

InChI

InChI=1S/C26H26FN3O4S/c1-26(2,3)17-8-6-16(7-9-17)24(31)28-20-14-21-22(30(5)25(32)29(21)4)15-23(20)35(33,34)19-12-10-18(27)11-13-19/h6-15H,1-5H3,(H,28,31)

InChI Key

NQIZOYBGDYUIAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27244979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.480

Distribution Coefficient, logD

5.465

Water Solubility, LogSw

-5.43

Polar Surface Area

69.817

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

L322-0414 in Drug Discovery

Included in Screening Libraries

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

Hsp90-Targeted Library (11355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with L322-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L322-0414?
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What is the minimum amount of L322-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L322-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L322-0414
  • 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 L322-0414 available by request