F128-0584 Screening compound: methyl 3-(4-amino-5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2-sulfanylidene-2,3-dihydro-1,3-thiazol-3-yl)-4-methylbenzoate

F128-0584 Screening compound: methyl 3-(4-amino-5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2-sulfanylidene-2,3-dihydro-1,3-thiazol-3-yl)-4-methylbenzoate
F128-0584 Screening compound: methyl 3-(4-amino-5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2-sulfanylidene-2,3-dihydro-1,3-thiazol-3-yl)-4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F128-0584
methyl 3-(4-amino-5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2-sulfanylidene-2,3-dihydro-1,3-thiazol-3-yl)-4-methylbenzoate

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

F128-0584

Molecular Formula

C21H19N3O5S2 (C21 H19 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(C(OC)=O)c1)c1N(C(N)=C(C(NCc(cc1)cc2c1OCO2)=O)S1)C1=S

InChI

InChI=1S/C21H19N3O5S2/c1-11-3-5-13(20(26)27-2)8-14(11)24-18(22)17(31-21(24)30)19(25)23-9-12-4-6-15-16(7-12)29-10-28-15/h3-8H,9-10,22H2,1-2H3,(H,23,25)

InChI Key

ZAFSSMWKRKOXAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11993015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.487

Distribution Coefficient, logD

3.487

Water Solubility, LogSw

-3.95

Polar Surface Area

85.516

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with F128-0584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F128-0584?
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What is the minimum amount of F128-0584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F128-0584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F128-0584
  • 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 F128-0584 available by request