L995-0081 Screening compound: 5-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole

L995-0081 Screening compound: 5-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole
L995-0081 Screening compound: 5-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L995-0081
5-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole

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

L995-0081

Molecular Formula

C24H28N4O4S (C24 H28 N4 O4 S)

Compound Name

5-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole

IUPAC name

5-{[4-(23-dimethylphenyl)piperazin-1-yl]sulfonyl}-3-(pyrrolidine-1-carbonyl)-12-benzoxazole

SMILES

Cc1cccc(N(CC2)CCN2S(c(cc2)cc3c2onc3C(N2CCCC2)=O)(=O)=O)c1C

InChI

InChI=1S/C24H28N4O4S/c1-17-6-5-7-21(18(17)2)26-12-14-28(15-13-26)33(30,31)19-8-9-22-20(16-19)23(25-32-22)24(29)27-10-3-4-11-27/h5-9,16H,3-4,10-15H2,1-2H3

InChI Key

DDQVAXRCLHZQAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27491284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.129

Distribution Coefficient, logD

4.129

Water Solubility, LogSw

-4.24

Polar Surface Area

74.122

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

L995-0081 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L995-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L995-0081?
Check Price and Availability of L995-0081, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L995-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L995-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L995-0081
  • 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 L995-0081 available by request