3338-0729 Screening compound: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide

3338-0729 Screening compound: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide
3338-0729 Screening compound: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3338-0729
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)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

3338-0729

Molecular Formula

C25H20BrN3O3S2 (C25 H20 BrN3 O3 S2)

Compound Name

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide

IUPAC name

N-[4-(4-bromophenyl)-13-thiazol-2-yl]-4-(1234-tetrahydroisoquinoline-2-sulfonyl)benzamide

SMILES

O=C(c(cc1)ccc1S(N(CC1)Cc2c1cccc2)(=O)=O)Nc1nc(-c(cc2)ccc2Br)cs1

InChI

InChI=1S/C25H20BrN3O3S2/c26-21-9-5-18(6-10-21)23-16-33-25(27-23)28-24(30)19-7-11-22(12-8-19)34(31,32)29-14-13-17-3-1-2-4-20(17)15-29/h1-12,16H,13-15H2,(H,27,28,30)

InChI Key

IATJVIGWFBHNMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04409719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.608

Distribution Coefficient, logD

6.606

Water Solubility, LogSw

-6.17

Polar Surface Area

64.477

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

3338-0729 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • GPCR
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3338-0729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3338-0729?
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What is the minimum amount of 3338-0729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3338-0729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3338-0729
  • 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 3338-0729 available by request