L995-0335 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide

L995-0335 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
L995-0335 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L995-0335
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide

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

L995-0335

Molecular Formula

C21H20N4O5S2 (C21 H20 N4 O5 S2)

Compound Name

N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide

IUPAC name

N-(6-methoxy-13-benzothiazol-2-yl)-3-(piperidine-1-carbonyl)-12-benzoxazole-5-sulfonamide

SMILES

COc(cc1)cc2c1nc(NS(c(cc1)cc3c1onc3C(N1CCCCC1)=O)(=O)=O)s2

InChI

InChI=1S/C21H20N4O5S2/c1-29-13-5-7-16-18(11-13)31-21(22-16)24-32(27,28)14-6-8-17-15(12-14)19(23-30-17)20(26)25-9-3-2-4-10-25/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,24)

InChI Key

GCBWPUIJEWJEDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27491354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.842

Distribution Coefficient, logD

3.686

Water Solubility, LogSw

-4.06

Polar Surface Area

97.041

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L995-0335 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L995-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L995-0335?
Check Price and Availability of L995-0335, 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 L995-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L995-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L995-0335
  • 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 L995-0335 available by request