F128-0558 Screening compound: methyl 3-(4-amino-5-{[(2-methoxyphenyl)methyl]carbamoyl}-2-sulfanylidene-2,3-dihydro-1,3-thiazol-3-yl)benzoate

F128-0558 Screening compound: methyl 3-(4-amino-5-{[(2-methoxyphenyl)methyl]carbamoyl}-2-sulfanylidene-2,3-dihydro-1,3-thiazol-3-yl)benzoate
F128-0558 Screening compound: methyl 3-(4-amino-5-{[(2-methoxyphenyl)methyl]carbamoyl}-2-sulfanylidene-2,3-dihydro-1,3-thiazol-3-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F128-0558
methyl 3-(4-amino-5-{[(2-methoxyphenyl)methyl]carbamoyl}-2-sulfanylidene-2,3-dihydro-1,3-thiazol-3-yl)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

F128-0558

Molecular Formula

C20H19N3O4S2 (C20 H19 N3 O4 S2)

Compound Name

methyl 3-(4-amino-5-{[(2-methoxyphenyl)methyl]carbamoyl}-2-sulfanylidene-2,3-dihydro-1,3-thiazol-3-yl)benzoate

IUPAC name

methyl 3-(4-amino-5-{[(2-methoxyphenyl)methyl]carbamoyl}-2-sulfanylidene-23-dihydro-13-thiazol-3-yl)benzoate

SMILES

COC(c1cccc(N(C(N)=C(C(NCc(cccc2)c2OC)=O)S2)C2=S)c1)=O

InChI

InChI=1S/C20H19N3O4S2/c1-26-15-9-4-3-6-13(15)11-22-18(24)16-17(21)23(20(28)29-16)14-8-5-7-12(10-14)19(25)27-2/h3-10H,11,21H2,1-2H3,(H,22,24)

InChI Key

BGRSWFZWLJEKLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14942830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.238

Distribution Coefficient, logD

3.238

Water Solubility, LogSw

-3.51

Polar Surface Area

76.332

Acid Dissociation Constant (pKa)

14.63

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with F128-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F128-0558?
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What is the minimum amount of F128-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F128-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F128-0558
  • 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 F128-0558 available by request