D491-4198 Screening compound: 3-chloro-6-methyl-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1-benzothiophene-2-carboxamide

D491-4198 Screening compound: 3-chloro-6-methyl-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1-benzothiophene-2-carboxamide
D491-4198 Screening compound: 3-chloro-6-methyl-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-4198
3-chloro-6-methyl-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1-benzothiophene-2-carboxamide

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

D491-4198

Molecular Formula

C19H15ClN2O3S (C19 H15 ClN2 O3 S)

Compound Name

3-chloro-6-methyl-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-6-methyl-N-(2-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)-1-benzothiophene-2-carboxamide

SMILES

CC1Oc(ccc(NC(c(sc2c3ccc(C)c2)c3Cl)=O)c2)c2NC1=O

InChI

InChI=1S/C19H15ClN2O3S/c1-9-3-5-12-15(7-9)26-17(16(12)20)19(24)21-11-4-6-14-13(8-11)22-18(23)10(2)25-14/h3-8,10H,1-2H3,(H,21,24)(H,22,23)/t10-/m1/s1

InChI Key

GCXOUBFJZWUKFJ-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD18076590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.642

Distribution Coefficient, logD

4.640

Water Solubility, LogSw

-4.86

Polar Surface Area

56.685

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

D491-4198 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D491-4198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-4198?
Check Price and Availability of D491-4198, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D491-4198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-4198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-4198
  • 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 D491-4198 available by request