8019-6689 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-{4-[(4-fluorophenyl)methoxy]phenyl}-3-methyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

8019-6689 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-{4-[(4-fluorophenyl)methoxy]phenyl}-3-methyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
8019-6689 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-{4-[(4-fluorophenyl)methoxy]phenyl}-3-methyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6689
1-(1,3-benzothiazol-2-yl)-4-{4-[(4-fluorophenyl)methoxy]phenyl}-3-methyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

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

8019-6689

Molecular Formula

C27H21FN4O2S2 (C27 H21 FN4 O2 S2)

Compound Name

1-(1,3-benzothiazol-2-yl)-4-{4-[(4-fluorophenyl)methoxy]phenyl}-3-methyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

IUPAC name

1-(13-benzothiazol-2-yl)-4-{4-[(4-fluorophenyl)methoxy]phenyl}-3-methyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

Cc(c(C(c(cc1)ccc1OCc(cc1)ccc1F)SC1)c2NC1=O)nn2-c1nc(cccc2)c2s1

InChI

InChI=1S/C27H21FN4O2S2/c1-16-24-25(18-8-12-20(13-9-18)34-14-17-6-10-19(28)11-7-17)35-15-23(33)30-26(24)32(31-16)27-29-21-4-2-3-5-22(21)36-27/h2-13,25H,14-15H2,1H3,(H,30,33)/t25-/m1/s1

InChI Key

SLYUAGKICMNJDV-RUZDIDTESA-N

MDL Number (MFCD)

MFCD10038878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.020

Distribution Coefficient, logD

6.016

Water Solubility, LogSw

-5.59

Polar Surface Area

56.185

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

8019-6689 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8019-6689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6689?
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What is the minimum amount of 8019-6689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6689
  • 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 8019-6689 available by request