2738-0397 Screening compound: ethyl 4-{[(2E)-6-[(4-iodophenyl)carbamoyl]-3-methyl-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate

2738-0397 Screening compound: ethyl 4-{[(2E)-6-[(4-iodophenyl)carbamoyl]-3-methyl-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate
2738-0397 Screening compound: ethyl 4-{[(2E)-6-[(4-iodophenyl)carbamoyl]-3-methyl-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2738-0397
ethyl 4-{[(2E)-6-[(4-iodophenyl)carbamoyl]-3-methyl-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

2738-0397

Molecular Formula

C21H20IN3O4S (C21 H20 IN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1/N=C(\N(C)C(C1)=O)/SC1C(Nc(cc1)ccc1I)=O)=O

InChI

InChI=1S/C21H20IN3O4S/c1-3-29-20(28)13-4-8-16(9-5-13)24-21-25(2)18(26)12-17(30-21)19(27)23-15-10-6-14(22)7-11-15/h4-11,17H,3,12H2,1-2H3,(H,23,27)/t17-/m0/s1

InChI Key

SBEWRRYRZCDFGF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14708357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.38

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

4.690

Distribution Coefficient, logD

4.690

Water Solubility, LogSw

-4.25

Polar Surface Area

68.930

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 2738-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2738-0397?
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What is the minimum amount of 2738-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2738-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2738-0397
  • 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 2738-0397 available by request