L995-0086 Screening compound: 1-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl}-1,2,3,4-tetrahydroquinoline

L995-0086 Screening compound: 1-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl}-1,2,3,4-tetrahydroquinoline
L995-0086 Screening compound: 1-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl}-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound L995-0086
1-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl}-1,2,3,4-tetrahydroquinoline

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

L995-0086

Molecular Formula

C21H21N3O4S (C21 H21 N3 O4 S)

Compound Name

1-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl}-1,2,3,4-tetrahydroquinoline

IUPAC name

1-{[3-(pyrrolidine-1-carbonyl)-12-benzoxazol-5-yl]sulfonyl}-1234-tetrahydroquinoline

SMILES

O=C(c1noc(cc2)c1cc2S(N(CCC1)c2c1cccc2)(=O)=O)N1CCCC1

InChI

InChI=1S/C21H21N3O4S/c25-21(23-11-3-4-12-23)20-17-14-16(9-10-19(17)28-22-20)29(26,27)24-13-5-7-15-6-1-2-8-18(15)24/h1-2,6,8-10,14H,3-5,7,11-13H2

InChI Key

CHFZETYVFGIPOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27491288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.085

Distribution Coefficient, logD

3.085

Water Solubility, LogSw

-3.60

Polar Surface Area

70.604

Acid Dissociation Constant (pKa)

24.75

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L995-0086 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with L995-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L995-0086?
Check Price and Availability of L995-0086, 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 L995-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L995-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L995-0086
  • 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 L995-0086 available by request