L905-1397 Screening compound: 3-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1-[(4-fluorophenyl)methyl]urea

L905-1397 Screening compound: 3-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1-[(4-fluorophenyl)methyl]urea
L905-1397 Screening compound: 3-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1-[(4-fluorophenyl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L905-1397
3-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1-[(4-fluorophenyl)methyl]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

L905-1397

Molecular Formula

C22H18FN3OS (C22 H18 FN3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)-c2nc(cccc3)c3s2)c1NC(NCc(cc1)ccc1F)=O

InChI

InChI=1S/C22H18FN3OS/c1-14-12-16(21-25-19-4-2-3-5-20(19)28-21)8-11-18(14)26-22(27)24-13-15-6-9-17(23)10-7-15/h2-12H,13H2,1H3,(H2,24,26,27)

InChI Key

BQGOYSWLQDOIGF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.920

Distribution Coefficient, logD

4.920

Water Solubility, LogSw

-4.63

Polar Surface Area

42.615

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with L905-1397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L905-1397?
Check Price and Availability of L905-1397, 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 L905-1397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L905-1397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L905-1397
  • 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 L905-1397 available by request