L995-0274 Screening compound: 6-chloro-2-ethyl-4-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazine

L995-0274 Screening compound: 6-chloro-2-ethyl-4-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazine
L995-0274 Screening compound: 6-chloro-2-ethyl-4-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound L995-0274
6-chloro-2-ethyl-4-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazine

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

L995-0274

Molecular Formula

C22H22ClN3O5S (C22 H22 ClN3 O5 S)

Compound Name

6-chloro-2-ethyl-4-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazine

IUPAC name

6-chloro-2-ethyl-4-{[3-(pyrrolidine-1-carbonyl)-12-benzoxazol-5-yl]sulfonyl}-34-dihydro-2H-14-benzoxazine

SMILES

CCC(C1)Oc(ccc(Cl)c2)c2N1S(c(cc1)cc2c1onc2C(N1CCCC1)=O)(=O)=O

InChI

InChI=1S/C22H22ClN3O5S/c1-2-15-13-26(18-11-14(23)5-7-20(18)30-15)32(28,29)16-6-8-19-17(12-16)21(24-31-19)22(27)25-9-3-4-10-25/h5-8,11-12,15H,2-4,9-10,13H2,1H3/t15-/m1/s1

InChI Key

NWGQTHUWPZWMDG-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27491346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.95

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

3.958

Distribution Coefficient, logD

3.958

Water Solubility, LogSw

-4.25

Polar Surface Area

77.847

Acid Dissociation Constant (pKa)

25.20

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

L995-0274 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with L995-0274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L995-0274?
Check Price and Availability of L995-0274, 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 L995-0274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L995-0274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L995-0274
  • 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 L995-0274 available by request