G001-0744 Screening compound: 5-(4-FLUOROPHENYL)-4-METHYL-3-[(2-THIENYLMETHYL)AMINO]-1H-1LAMBDA6-ISOTHIAZOLE-1

G001-0744 Screening compound: 5-(4-FLUOROPHENYL)-4-METHYL-3-[(2-THIENYLMETHYL)AMINO]-1H-1LAMBDA6-ISOTHIAZOLE-1
G001-0744 Screening compound: 5-(4-FLUOROPHENYL)-4-METHYL-3-[(2-THIENYLMETHYL)AMINO]-1H-1LAMBDA6-ISOTHIAZOLE-1 alternative view

Chemical Structure Depiction of ChemDiv screening compound G001-0744
5-(4-FLUOROPHENYL)-4-METHYL-3-[(2-THIENYLMETHYL)AMINO]-1H-1LAMBDA6-ISOTHIAZOLE-1

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

G001-0744

Molecular Formula

C15H13FN2O2S2 (C15 H13 FN2 O2 S2)

Compound Name

5-(4-FLUOROPHENYL)-4-METHYL-3-[(2-THIENYLMETHYL)AMINO]-1H-1LAMBDA6-ISOTHIAZOLE-1

IUPAC name

n/a

SMILES

CC(C(NCc1cccs1)=N1)=C(c(cc2)ccc2F)S1(=O)=O

InChI

InChI=1S/C15H13FN2O2S2/c1-10-14(11-4-6-12(16)7-5-11)22(19,20)18-15(10)17-9-13-3-2-8-21-13/h2-8H,9H2,1H3,(H,17,18)

InChI Key

JAJHKMHFYGWHNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14974257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.904

Distribution Coefficient, logD

2.904

Water Solubility, LogSw

-3.36

Polar Surface Area

53.185

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

G001-0744 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 G001-0744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G001-0744?
Check Price and Availability of G001-0744, 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 G001-0744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G001-0744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G001-0744
  • 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 G001-0744 available by request