L995-0721 Screening compound: 2-{[3-(morpholine-4-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline

L995-0721 Screening compound: 2-{[3-(morpholine-4-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline
L995-0721 Screening compound: 2-{[3-(morpholine-4-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound L995-0721
2-{[3-(morpholine-4-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline

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

L995-0721

Molecular Formula

C21H21N3O5S (C21 H21 N3 O5 S)

Compound Name

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

IUPAC name

2-{[3-(morpholine-4-carbonyl)-12-benzoxazol-5-yl]sulfonyl}-1234-tetrahydroisoquinoline

SMILES

O=C(c1noc(cc2)c1cc2S(N(CC1)Cc2c1cccc2)(=O)=O)N1CCOCC1

InChI

InChI=1S/C21H21N3O5S/c25-21(23-9-11-28-12-10-23)20-18-13-17(5-6-19(18)29-22-20)30(26,27)24-8-7-15-3-1-2-4-16(15)14-24/h1-6,13H,7-12,14H2

InChI Key

GWBWCGGDMFDODN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27491488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.452

Distribution Coefficient, logD

2.452

Water Solubility, LogSw

-2.81

Polar Surface Area

78.367

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L995-0721 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L995-0721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L995-0721?
Check Price and Availability of L995-0721, 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 L995-0721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L995-0721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L995-0721
  • 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 L995-0721 available by request