7616-0521 Screening compound: {[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]methyl}(propan-2-yloxy)phosphinic acid

7616-0521 Screening compound: {[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]methyl}(propan-2-yloxy)phosphinic acid
7616-0521 Screening compound: {[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]methyl}(propan-2-yloxy)phosphinic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7616-0521
{[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]methyl}(propan-2-yloxy)phosphinic acid

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

7616-0521

Molecular Formula

C12H14ClN2O4PS (C12 H14 ClN2 O4 PS)

Compound Name

{[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]methyl}(propan-2-yloxy)phosphinic acid

IUPAC name

{[(6-chloro-13-benzothiazol-2-yl)carbamoyl]methyl}(propan-2-yloxy)phosphinic acid

SMILES

CC(C)OP(CC(Nc1nc(ccc(Cl)c2)c2s1)=O)(O)=O

InChI

InChI=1S/C12H14ClN2O4PS/c1-7(2)19-20(17,18)6-11(16)15-12-14-9-4-3-8(13)5-10(9)21-12/h3-5,7H,6H2,1-2H3,(H,17,18)(H,14,15,16)

InChI Key

MSOLFRNEOSBNOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.313

Distribution Coefficient, logD

-3.260

Water Solubility, LogSw

-3.32

Polar Surface Area

70.240

Acid Dissociation Constant (pKa)

1.83

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 7616-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7616-0521?
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What is the minimum amount of 7616-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7616-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7616-0521
  • 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 7616-0521 available by request