V007-7139 Screening compound: 3-[(3-METHOXYPHENYL)METHYL]-N-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}-1,2,4-THIADIAZOL-5-AMINE

V007-7139 Screening compound: 3-[(3-METHOXYPHENYL)METHYL]-N-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}-1,2,4-THIADIAZOL-5-AMINE
V007-7139 Screening compound: 3-[(3-METHOXYPHENYL)METHYL]-N-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}-1,2,4-THIADIAZOL-5-AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-7139
3-[(3-METHOXYPHENYL)METHYL]-N-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}-1,2,4-THIADIAZOL-5-AMINE

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

V007-7139

Molecular Formula

C18H16F3N3OS (C18 H16 F3 N3 OS)

Compound Name

3-[(3-METHOXYPHENYL)METHYL]-N-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}-1,2,4-THIADIAZOL-5-AMINE

IUPAC name

n/a

SMILES

COc1cccc(Cc2nsc(NCc3cc(C(F)(F)F)ccc3)n2)c1

InChI

InChI=1S/C18H16F3N3OS/c1-25-15-7-3-4-12(9-15)10-16-23-17(26-24-16)22-11-13-5-2-6-14(8-13)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,23,24)

InChI Key

OPNGYXJIUBECQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19748858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.898

Distribution Coefficient, logD

4.898

Water Solubility, LogSw

-4.79

Polar Surface Area

39.595

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V007-7139 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V007-7139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-7139?
Check Price and Availability of V007-7139, 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 V007-7139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-7139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-7139
  • 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 V007-7139 available by request