L995-0116 Screening compound: 1-[4-(4-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl}piperazin-1-yl)phenyl]ethan-1-one

L995-0116 Screening compound: 1-[4-(4-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl}piperazin-1-yl)phenyl]ethan-1-one
L995-0116 Screening compound: 1-[4-(4-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl}piperazin-1-yl)phenyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L995-0116
1-[4-(4-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl}piperazin-1-yl)phenyl]ethan-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

L995-0116

Molecular Formula

C24H26N4O5S (C24 H26 N4 O5 S)

Compound Name

1-[4-(4-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl}piperazin-1-yl)phenyl]ethan-1-one

IUPAC name

1-[4-(4-{[3-(pyrrolidine-1-carbonyl)-12-benzoxazol-5-yl]sulfonyl}piperazin-1-yl)phenyl]ethan-1-one

SMILES

CC(c(cc1)ccc1N(CC1)CCN1S(c(cc1)cc2c1onc2C(N1CCCC1)=O)(=O)=O)=O

InChI

InChI=1S/C24H26N4O5S/c1-17(29)18-4-6-19(7-5-18)26-12-14-28(15-13-26)34(31,32)20-8-9-22-21(16-20)23(25-33-22)24(30)27-10-2-3-11-27/h4-9,16H,2-3,10-15H2,1H3

InChI Key

DKPUBIUIOVWMBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15138463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.669

Distribution Coefficient, logD

2.669

Water Solubility, LogSw

-3.10

Polar Surface Area

88.250

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

L995-0116 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L995-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L995-0116?
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What is the minimum amount of L995-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L995-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L995-0116
  • 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 L995-0116 available by request