D050-0092 Screening compound: N-(1,2-benzoxazol-3-yl)-5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamide

D050-0092 Screening compound: N-(1,2-benzoxazol-3-yl)-5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamide
D050-0092 Screening compound: N-(1,2-benzoxazol-3-yl)-5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D050-0092
N-(1,2-benzoxazol-3-yl)-5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamide

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

D050-0092

Molecular Formula

C18H16BrN3O4S (C18 H16 BrN3 O4 S)

Compound Name

N-(1,2-benzoxazol-3-yl)-5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamide

IUPAC name

N-(12-benzoxazol-3-yl)-5-bromo-1-propanoyl-23-dihydro-1H-indole-6-sulfonamide

SMILES

CCC(N(CCc1c2)c1cc(S(Nc1noc3c1cccc3)(=O)=O)c2Br)=O

InChI

InChI=1S/C18H16BrN3O4S/c1-2-17(23)22-8-7-11-9-13(19)16(10-14(11)22)27(24,25)21-18-12-5-3-4-6-15(12)26-20-18/h3-6,9-10H,2,7-8H2,1H3,(H,20,21)

InChI Key

RHCGJDJAYZEFKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.686

Distribution Coefficient, logD

2.052

Water Solubility, LogSw

-4.01

Polar Surface Area

78.379

Acid Dissociation Constant (pKa)

5.78

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

D050-0092 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D050-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D050-0092?
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What is the minimum amount of D050-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D050-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D050-0092
  • 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 D050-0092 available by request