L366-0324 Screening compound: 1-(2,5-difluorophenyl)-3-[2-(4-methylbenzenesulfonamido)-1,3-benzothiazol-6-yl]urea

L366-0324 Screening compound: 1-(2,5-difluorophenyl)-3-[2-(4-methylbenzenesulfonamido)-1,3-benzothiazol-6-yl]urea
L366-0324 Screening compound: 1-(2,5-difluorophenyl)-3-[2-(4-methylbenzenesulfonamido)-1,3-benzothiazol-6-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L366-0324
1-(2,5-difluorophenyl)-3-[2-(4-methylbenzenesulfonamido)-1,3-benzothiazol-6-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

L366-0324

Molecular Formula

C21H16F2N4O3S2 (C21 H16 F2 N4 O3 S2)

Compound Name

1-(2,5-difluorophenyl)-3-[2-(4-methylbenzenesulfonamido)-1,3-benzothiazol-6-yl]urea

IUPAC name

1-(25-difluorophenyl)-3-[2-(4-methylbenzenesulfonamido)-13-benzothiazol-6-yl]urea

SMILES

Cc(cc1)ccc1S(Nc1nc(ccc(NC(Nc(cc(cc2)F)c2F)=O)c2)c2s1)(=O)=O

InChI

InChI=1S/C21H16F2N4O3S2/c1-12-2-6-15(7-3-12)32(29,30)27-21-26-17-9-5-14(11-19(17)31-21)24-20(28)25-18-10-13(22)4-8-16(18)23/h2-11H,1H3,(H,26,27)(H2,24,25,28)

InChI Key

APCCRDBGRIVUIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15125285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.51

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

5.779

Distribution Coefficient, logD

5.378

Water Solubility, LogSw

-5.50

Polar Surface Area

82.255

Acid Dissociation Constant (pKa)

7.22

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

L366-0324 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 L366-0324 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L366-0324?
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What is the minimum amount of L366-0324 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L366-0324
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L366-0324
  • 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 L366-0324 available by request