8017-7595 Screening compound: 2-bromo-4-[3-bromo-4-(trifluoromethyl)isothiazolo[5,4-b]pyridin-6-yl]phenyl ethyl ether

8017-7595 Screening compound: 2-bromo-4-[3-bromo-4-(trifluoromethyl)isothiazolo[5,4-b]pyridin-6-yl]phenyl ethyl ether
8017-7595 Screening compound: 2-bromo-4-[3-bromo-4-(trifluoromethyl)isothiazolo[5,4-b]pyridin-6-yl]phenyl ethyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7595
2-bromo-4-[3-bromo-4-(trifluoromethyl)isothiazolo[5,4-b]pyridin-6-yl]phenyl ethyl ether

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

8017-7595

Molecular Formula

C15H9Br2F3N2OS (C15 H9 Br2 F3 N2 OS)

Compound Name

2-bromo-4-[3-bromo-4-(trifluoromethyl)isothiazolo[5,4-b]pyridin-6-yl]phenyl ethyl ether

IUPAC name

3-bromo-6-(3-bromo-4-ethoxyphenyl)-4-(trifluoromethyl)-[12]thiazolo[54-b]pyridine

SMILES

CCOc(ccc(-c1nc(snc2Br)c2c(C(F)(F)F)c1)c1)c1Br

InChI

InChI=1S/C15H9Br2F3N2OS/c1-2-23-11-4-3-7(5-9(11)16)10-6-8(15(18,19)20)12-13(17)22-24-14(12)21-10/h3-6H,2H2,1H3

InChI Key

UYJVWBRNQNGJOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.12

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.466

Distribution Coefficient, logD

6.466

Water Solubility, LogSw

-6.13

Polar Surface Area

27.491

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8017-7595 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-7595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7595?
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What is the minimum amount of 8017-7595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7595
  • 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 8017-7595 available by request