L356-0069 Screening compound: 1-[(4-fluorophenyl)methyl]-3-(2-methanesulfonamido-1,3-benzothiazol-5-yl)urea

L356-0069 Screening compound: 1-[(4-fluorophenyl)methyl]-3-(2-methanesulfonamido-1,3-benzothiazol-5-yl)urea
L356-0069 Screening compound: 1-[(4-fluorophenyl)methyl]-3-(2-methanesulfonamido-1,3-benzothiazol-5-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L356-0069
1-[(4-fluorophenyl)methyl]-3-(2-methanesulfonamido-1,3-benzothiazol-5-yl)urea

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

L356-0069

Molecular Formula

C16H15FN4O3S2 (C16 H15 FN4 O3 S2)

Compound Name

1-[(4-fluorophenyl)methyl]-3-(2-methanesulfonamido-1,3-benzothiazol-5-yl)urea

IUPAC name

1-[(4-fluorophenyl)methyl]-3-(2-methanesulfonamido-13-benzothiazol-5-yl)urea

SMILES

CS(Nc1nc(cc(cc2)NC(NCc(cc3)ccc3F)=O)c2s1)(=O)=O

InChI

InChI=1S/C16H15FN4O3S2/c1-26(23,24)21-16-20-13-8-12(6-7-14(13)25-16)19-15(22)18-9-10-2-4-11(17)5-3-10/h2-8H,9H2,1H3,(H,20,21)(H2,18,19,22)

InChI Key

VSWLPDMMWDTEDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15124846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.861

Distribution Coefficient, logD

2.729

Water Solubility, LogSw

-3.48

Polar Surface Area

85.492

Acid Dissociation Constant (pKa)

7.85

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

L356-0069 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 L356-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L356-0069?
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What is the minimum amount of L356-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L356-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L356-0069
  • 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 L356-0069 available by request