4514-2010 Screening compound: methyl 4-{[(2Z)-6-[(3-chlorophenyl)carbamoyl]-3-ethyl-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate

4514-2010 Screening compound: methyl 4-{[(2Z)-6-[(3-chlorophenyl)carbamoyl]-3-ethyl-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate
4514-2010 Screening compound: methyl 4-{[(2Z)-6-[(3-chlorophenyl)carbamoyl]-3-ethyl-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-2010
methyl 4-{[(2Z)-6-[(3-chlorophenyl)carbamoyl]-3-ethyl-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate

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

4514-2010

Molecular Formula

C21H20ClN3O4S (C21 H20 ClN3 O4 S)

Compound Name

methyl 4-{[(2Z)-6-[(3-chlorophenyl)carbamoyl]-3-ethyl-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate

IUPAC name

methyl 4-{[(2Z)-6-[(3-chlorophenyl)carbamoyl]-3-ethyl-4-oxo-13-thiazinan-2-ylidene]amino}benzoate

SMILES

CCN(C(CC(C(Nc1cccc(Cl)c1)=O)S1)=O)/C1=N/c(cc1)ccc1C(OC)=O

InChI

InChI=1S/C21H20ClN3O4S/c1-3-25-18(26)12-17(19(27)23-16-6-4-5-14(22)11-16)30-21(25)24-15-9-7-13(8-10-15)20(28)29-2/h4-11,17H,3,12H2,1-2H3,(H,23,27)/t17-/m0/s1

InChI Key

DMUWZDLKVFURED-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02146734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.261

Distribution Coefficient, logD

4.260

Water Solubility, LogSw

-4.47

Polar Surface Area

69.309

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

3.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 4514-2010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-2010?
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What is the minimum amount of 4514-2010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-2010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-2010
  • 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 4514-2010 available by request