8019-6694 Screening compound: 4-{4-[(2-chlorophenyl)methoxy]phenyl}-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

8019-6694 Screening compound: 4-{4-[(2-chlorophenyl)methoxy]phenyl}-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
8019-6694 Screening compound: 4-{4-[(2-chlorophenyl)methoxy]phenyl}-1-(6-methoxy-1,3-benzothiazol-2-yl)-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 8019-6694
4-{4-[(2-chlorophenyl)methoxy]phenyl}-1-(6-methoxy-1,3-benzothiazol-2-yl)-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

8019-6694

Molecular Formula

C28H23ClN4O3S2 (C28 H23 ClN4 O3 S2)

Compound Name

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

IUPAC name

4-{4-[(2-chlorophenyl)methoxy]phenyl}-1-(6-methoxy-13-benzothiazol-2-yl)-3-methyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

Cc(c(C(c(cc1)ccc1OCc(cccc1)c1Cl)SC1)c2NC1=O)nn2-c1nc(ccc(OC)c2)c2s1

InChI

InChI=1S/C28H23ClN4O3S2/c1-16-25-26(17-7-9-19(10-8-17)36-14-18-5-3-4-6-21(18)29)37-15-24(34)31-27(25)33(32-16)28-30-22-12-11-20(35-2)13-23(22)38-28/h3-13,26H,14-15H2,1-2H3,(H,31,34)/t26-/m1/s1

InChI Key

UFROLIIBGAVXNV-AREMUKBSSA-N

MDL Number (MFCD)

MFCD10038883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.1

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.523

Distribution Coefficient, logD

6.366

Water Solubility, LogSw

-6.22

Polar Surface Area

63.729

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

8019-6694 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 8019-6694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6694?
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What is the minimum amount of 8019-6694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6694
  • 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 8019-6694 available by request