8017-8576 Screening compound: methyl 3-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)sulfonyl]amino}-4-methoxybenzoate

8017-8576 Screening compound: methyl 3-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)sulfonyl]amino}-4-methoxybenzoate
8017-8576 Screening compound: methyl 3-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)sulfonyl]amino}-4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8576
methyl 3-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)sulfonyl]amino}-4-methoxybenzoate

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

8017-8576

Molecular Formula

C18H19N3O6S (C18 H19 N3 O6 S)

Compound Name

methyl 3-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)sulfonyl]amino}-4-methoxybenzoate

IUPAC name

methyl 3-(13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazole-5-sulfonamido)-4-methoxybenzoate

SMILES

CN(c(ccc(S(Nc(cc(cc1)C(OC)=O)c1OC)(=O)=O)c1)c1N1C)C1=O

InChI

InChI=1S/C18H19N3O6S/c1-20-14-7-6-12(10-15(14)21(2)18(20)23)28(24,25)19-13-9-11(17(22)27-4)5-8-16(13)26-3/h5-10,19H,1-4H3

InChI Key

JAYQIWBUCLCWLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.465

Distribution Coefficient, logD

2.205

Water Solubility, LogSw

-3.02

Polar Surface Area

86.679

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8017-8576 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8017-8576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8576?
Check Price and Availability of 8017-8576, 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 8017-8576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8576
  • 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 8017-8576 available by request