8006-8855 Screening compound: 4-bromo-3-(morpholine-4-sulfonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

8006-8855 Screening compound: 4-bromo-3-(morpholine-4-sulfonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
8006-8855 Screening compound: 4-bromo-3-(morpholine-4-sulfonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8855
4-bromo-3-(morpholine-4-sulfonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-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

8006-8855

Molecular Formula

C19H17BrN4O4S2 (C19 H17 BrN4 O4 S2)

Compound Name

4-bromo-3-(morpholine-4-sulfonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

IUPAC name

4-bromo-3-(morpholine-4-sulfonyl)-N-(5-phenyl-134-thiadiazol-2-yl)benzamide

SMILES

O=C(c(cc1)cc(S(N2CCOCC2)(=O)=O)c1Br)Nc1nnc(-c2ccccc2)s1

InChI

InChI=1S/C19H17BrN4O4S2/c20-15-7-6-14(12-16(15)30(26,27)24-8-10-28-11-9-24)17(25)21-19-23-22-18(29-19)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,21,23,25)

InChI Key

YHVLKPSZJIEDMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00827244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.593

Distribution Coefficient, logD

3.421

Water Solubility, LogSw

-3.83

Polar Surface Area

86.223

Acid Dissociation Constant (pKa)

7.71

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

8006-8855 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-8855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8855?
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What is the minimum amount of 8006-8855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8855
  • 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 8006-8855 available by request