4514-1732 Screening compound: (2Z)-3-[(4-CHLOROPHENYL)METHYL]-2-[(4-FLUOROPHENYL)IMINO]-4-OXO-1,3-THIAZINANE-6-CARBOXYLIC ACID

4514-1732 Screening compound: (2Z)-3-[(4-CHLOROPHENYL)METHYL]-2-[(4-FLUOROPHENYL)IMINO]-4-OXO-1,3-THIAZINANE-6-CARBOXYLIC ACID
4514-1732 Screening compound: (2Z)-3-[(4-CHLOROPHENYL)METHYL]-2-[(4-FLUOROPHENYL)IMINO]-4-OXO-1,3-THIAZINANE-6-CARBOXYLIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-1732
(2Z)-3-[(4-CHLOROPHENYL)METHYL]-2-[(4-FLUOROPHENYL)IMINO]-4-OXO-1,3-THIAZINANE-6-CARBOXYLIC 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

4514-1732

Molecular Formula

C18H14ClFN2O3S (C18 H14 ClFN2 O3 S)

Compound Name

(2Z)-3-[(4-CHLOROPHENYL)METHYL]-2-[(4-FLUOROPHENYL)IMINO]-4-OXO-1,3-THIAZINANE-6-CARBOXYLIC ACID

IUPAC name

n/a

SMILES

OC(C(CC(N1Cc(cc2)ccc2Cl)=O)S/C1=N\c(cc1)ccc1F)=O

InChI

InChI=1S/C18H14ClFN2O3S/c19-12-3-1-11(2-4-12)10-22-16(23)9-15(17(24)25)26-18(22)21-14-7-5-13(20)6-8-14/h1-8,15H,9-10H2,(H,24,25)/t15-/m1/s1

InChI Key

ILMPJKSFCKNTQC-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD01932879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.477

Distribution Coefficient, logD

1.043

Water Solubility, LogSw

-3.66

Polar Surface Area

53.456

Acid Dissociation Constant (pKa)

4.97

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 4514-1732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-1732?
Check Price and Availability of 4514-1732, 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 4514-1732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-1732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-1732
  • 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 4514-1732 available by request