3886-1182 Screening compound: 4-(4-bromophenyl)-1,3-diphenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

3886-1182 Screening compound: 4-(4-bromophenyl)-1,3-diphenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
3886-1182 Screening compound: 4-(4-bromophenyl)-1,3-diphenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3886-1182
4-(4-bromophenyl)-1,3-diphenyl-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

3886-1182

Molecular Formula

C24H18BrN3OS (C24 H18 BrN3 OS)

Compound Name

4-(4-bromophenyl)-1,3-diphenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

IUPAC name

4-(4-bromophenyl)-13-diphenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

O=C(CSC1c(cc2)ccc2Br)Nc2c1c(-c1ccccc1)nn2-c1ccccc1

InChI

InChI=1S/C24H18BrN3OS/c25-18-13-11-17(12-14-18)23-21-22(16-7-3-1-4-8-16)27-28(19-9-5-2-6-10-19)24(21)26-20(29)15-30-23/h1-14,23H,15H2,(H,26,29)/t23-/m1/s1

InChI Key

FSXKFHPMXBPGKE-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD02855461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.760

Distribution Coefficient, logD

5.760

Water Solubility, LogSw

-5.91

Polar Surface Area

39.344

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

3886-1182 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3886-1182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3886-1182?
Check Price and Availability of 3886-1182, 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 3886-1182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3886-1182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3886-1182
  • 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 3886-1182 available by request