8019-6631 Screening compound: 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

8019-6631 Screening compound: 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
8019-6631 Screening compound: 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6631
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4-phenyl-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

8019-6631

Molecular Formula

C21H18N4O2S2 (C21 H18 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(C(c1ccccc1)SC1)c2NC1=O)nn2-c1nc(ccc(OC)c2)c2s1

InChI

InChI=1S/C21H18N4O2S2/c1-12-18-19(13-6-4-3-5-7-13)28-11-17(26)23-20(18)25(24-12)21-22-15-9-8-14(27-2)10-16(15)29-21/h3-10,19H,11H2,1-2H3,(H,23,26)/t19-/m1/s1

InChI Key

YHUBHIDBPRCPAX-LJQANCHMSA-N

MDL Number (MFCD)

MFCD10038826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.638

Distribution Coefficient, logD

4.481

Water Solubility, LogSw

-4.49

Polar Surface Area

56.501

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

8019-6631 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8019-6631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6631?
Check Price and Availability of 8019-6631, 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 8019-6631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6631
  • 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 8019-6631 available by request