7287-0377 Screening compound: 2-(1H-1,3-benzodiazol-2-yl)-3-(4-bromophenyl)-2H-1,4-benzothiazine

7287-0377 Screening compound: 2-(1H-1,3-benzodiazol-2-yl)-3-(4-bromophenyl)-2H-1,4-benzothiazine
7287-0377 Screening compound: 2-(1H-1,3-benzodiazol-2-yl)-3-(4-bromophenyl)-2H-1,4-benzothiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7287-0377
2-(1H-1,3-benzodiazol-2-yl)-3-(4-bromophenyl)-2H-1,4-benzothiazine

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

7287-0377

Molecular Formula

C21H14BrN3S (C21 H14 BrN3 S)

Compound Name

2-(1H-1,3-benzodiazol-2-yl)-3-(4-bromophenyl)-2H-1,4-benzothiazine

IUPAC name

2-(1H-13-benzodiazol-2-yl)-3-(4-bromophenyl)-2H-14-benzothiazine

SMILES

Brc(cc1)ccc1C1=Nc(cccc2)c2SC1c1nc(cccc2)c2[nH]1

InChI

InChI=1S/C21H14BrN3S/c22-14-11-9-13(10-12-14)19-20(26-18-8-4-3-7-17(18)23-19)21-24-15-5-1-2-6-16(15)25-21/h1-12,20H,(H,24,25)/t20-/m1/s1

InChI Key

ZYWQQMRIMUXCKZ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD03955600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.825

Distribution Coefficient, logD

4.070

Water Solubility, LogSw

-6.27

Polar Surface Area

27.016

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.80

7287-0377 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7287-0377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7287-0377?
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What is the minimum amount of 7287-0377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7287-0377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7287-0377
  • 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 7287-0377 available by request