V016-4294 Screening compound: 5-methoxy-2-[({2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-1,3-benzothiazole

V016-4294 Screening compound: 5-methoxy-2-[({2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-1,3-benzothiazole
V016-4294 Screening compound: 5-methoxy-2-[({2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-4294
5-methoxy-2-[({2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-1,3-benzothiazole

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

V016-4294

Molecular Formula

C19H13F3N2OS3 (C19 H13 F3 N2 OS3)

Compound Name

5-methoxy-2-[({2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-1,3-benzothiazole

IUPAC name

5-methoxy-2-[({2-[4-(trifluoromethyl)phenyl]-13-thiazol-4-yl}methyl)sulfanyl]-13-benzothiazole

SMILES

COc(cc1)cc2c1sc(SCc1csc(-c3ccc(C(F)(F)F)cc3)n1)n2

InChI

InChI=1S/C19H13F3N2OS3/c1-25-14-6-7-16-15(8-14)24-18(28-16)27-10-13-9-26-17(23-13)11-2-4-12(5-3-11)19(20,21)22/h2-9H,10H2,1H3

InChI Key

PSRMNTVLTIYUJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.930

Distribution Coefficient, logD

6.930

Water Solubility, LogSw

-5.85

Polar Surface Area

26.821

Acid Dissociation Constant (pKa)

27.81

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with V016-4294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-4294?
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What is the minimum amount of V016-4294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-4294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-4294
  • 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 V016-4294 available by request