F128-0121 Screening compound: 4-amino-N-benzyl-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide

F128-0121 Screening compound: 4-amino-N-benzyl-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide
F128-0121 Screening compound: 4-amino-N-benzyl-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F128-0121
4-amino-N-benzyl-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide

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

F128-0121

Molecular Formula

C18H16ClN3O2S2 (C18 H16 ClN3 O2 S2)

Compound Name

4-amino-N-benzyl-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide

IUPAC name

4-amino-N-benzyl-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-23-dihydro-13-thiazole-5-carboxamide

SMILES

COc(ccc(Cl)c1)c1N(C(N)=C(C(NCc1ccccc1)=O)S1)C1=S

InChI

InChI=1S/C18H16ClN3O2S2/c1-24-14-8-7-12(19)9-13(14)22-16(20)15(26-18(22)25)17(23)21-10-11-5-3-2-4-6-11/h2-9H,10,20H2,1H3,(H,21,23)

InChI Key

KHJYABJHNFZMOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09981815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.393

Distribution Coefficient, logD

3.393

Water Solubility, LogSw

-3.96

Polar Surface Area

54.857

Acid Dissociation Constant (pKa)

14.63

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

F128-0121 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F128-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F128-0121?
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What is the minimum amount of F128-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F128-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F128-0121
  • 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 F128-0121 available by request