L995-0051 Screening compound: ethyl 3-[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamido]benzoate

L995-0051 Screening compound: ethyl 3-[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamido]benzoate
L995-0051 Screening compound: ethyl 3-[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L995-0051
ethyl 3-[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamido]benzoate

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

L995-0051

Molecular Formula

C21H21N3O6S (C21 H21 N3 O6 S)

Compound Name

ethyl 3-[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamido]benzoate

IUPAC name

ethyl 3-[3-(pyrrolidine-1-carbonyl)-12-benzoxazole-5-sulfonamido]benzoate

SMILES

CCOC(c1cccc(NS(c(cc2)cc3c2onc3C(N2CCCC2)=O)(=O)=O)c1)=O

InChI

InChI=1S/C21H21N3O6S/c1-2-29-21(26)14-6-5-7-15(12-14)23-31(27,28)16-8-9-18-17(13-16)19(22-30-18)20(25)24-10-3-4-11-24/h5-9,12-13,23H,2-4,10-11H2,1H3

InChI Key

AWSBCIUSNVLKJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27491265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.616

Distribution Coefficient, logD

3.562

Water Solubility, LogSw

-3.78

Polar Surface Area

100.855

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L995-0051 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L995-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L995-0051?
Check Price and Availability of L995-0051, 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 L995-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L995-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L995-0051
  • 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 L995-0051 available by request