8007-1090 Screening compound: 2-bromo-N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

8007-1090 Screening compound: 2-bromo-N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
8007-1090 Screening compound: 2-bromo-N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-1090
2-bromo-N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

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

8007-1090

Molecular Formula

C20H18BrN3O3S2 (C20 H18 BrN3 O3 S2)

Compound Name

2-bromo-N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

IUPAC name

2-bromo-N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-13-benzothiazol-6-yl)benzamide

SMILES

O=C(CSc1nc(ccc(NC(c(cccc2)c2Br)=O)c2)c2s1)N1CCOCC1

InChI

InChI=1S/C20H18BrN3O3S2/c21-15-4-2-1-3-14(15)19(26)22-13-5-6-16-17(11-13)29-20(23-16)28-12-18(25)24-7-9-27-10-8-24/h1-6,11H,7-10,12H2,(H,22,26)

InChI Key

UUMDLUQYCSEDKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00758427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.553

Distribution Coefficient, logD

3.548

Water Solubility, LogSw

-3.80

Polar Surface Area

56.441

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8007-1090 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8007-1090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-1090?
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What is the minimum amount of 8007-1090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-1090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-1090
  • 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 8007-1090 available by request