F128-0556 Screening compound: methyl 3-[4-amino-5-(methylcarbamoyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazol-3-yl]benzoate

F128-0556 Screening compound: methyl 3-[4-amino-5-(methylcarbamoyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazol-3-yl]benzoate
F128-0556 Screening compound: methyl 3-[4-amino-5-(methylcarbamoyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazol-3-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F128-0556
methyl 3-[4-amino-5-(methylcarbamoyl)-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

F128-0556

Molecular Formula

C13H13N3O3S2 (C13 H13 N3 O3 S2)

Compound Name

methyl 3-[4-amino-5-(methylcarbamoyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazol-3-yl]benzoate

IUPAC name

methyl 3-[4-amino-5-(methylcarbamoyl)-2-sulfanylidene-23-dihydro-13-thiazol-3-yl]benzoate

SMILES

CNC(C(SC1=S)=C(N)N1c1cc(C(OC)=O)ccc1)=O

InChI

InChI=1S/C13H13N3O3S2/c1-15-11(17)9-10(14)16(13(20)21-9)8-5-3-4-7(6-8)12(18)19-2/h3-6H,14H2,1-2H3,(H,15,17)

InChI Key

FFTDOFMYNFQRBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14942828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.361

Distribution Coefficient, logD

1.361

Water Solubility, LogSw

-2.31

Polar Surface Area

69.124

Acid Dissociation Constant (pKa)

16.77

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with F128-0556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F128-0556?
Check Price and Availability of F128-0556, 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 F128-0556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F128-0556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F128-0556
  • 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 F128-0556 available by request