8012-2170 Screening compound: N-(3,4-dichlorophenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

8012-2170 Screening compound: N-(3,4-dichlorophenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
8012-2170 Screening compound: N-(3,4-dichlorophenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2170
N-(3,4-dichlorophenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-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

8012-2170

Molecular Formula

C14H10Cl2N2O4S (C14 H10 Cl2 N2 O4 S)

Compound Name

N-(3,4-dichlorophenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

IUPAC name

N-(34-dichlorophenyl)-3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamide

SMILES

CN(c(ccc(S(Nc(cc1)cc(Cl)c1Cl)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C14H10Cl2N2O4S/c1-18-12-5-3-9(7-13(12)22-14(18)19)23(20,21)17-8-2-4-10(15)11(16)6-8/h2-7,17H,1H3

InChI Key

HZUWQPSNEHSEOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02934250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.645

Distribution Coefficient, logD

2.699

Water Solubility, LogSw

-4.17

Polar Surface Area

63.754

Acid Dissociation Constant (pKa)

6.51

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8012-2170 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8012-2170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2170?
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What is the minimum amount of 8012-2170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2170
  • 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 8012-2170 available by request