G810-0631 Screening compound: 3-methyl-N-{[1-(3-methylbutanoyl)-2,3-dihydro-1H-indol-5-yl]methyl}-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

G810-0631 Screening compound: 3-methyl-N-{[1-(3-methylbutanoyl)-2,3-dihydro-1H-indol-5-yl]methyl}-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
G810-0631 Screening compound: 3-methyl-N-{[1-(3-methylbutanoyl)-2,3-dihydro-1H-indol-5-yl]methyl}-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G810-0631
3-methyl-N-{[1-(3-methylbutanoyl)-2,3-dihydro-1H-indol-5-yl]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

G810-0631

Molecular Formula

C22H25N3O5S (C22 H25 N3 O5 S)

Compound Name

3-methyl-N-{[1-(3-methylbutanoyl)-2,3-dihydro-1H-indol-5-yl]methyl}-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

IUPAC name

3-methyl-N-{[1-(3-methylbutanoyl)-23-dihydro-1H-indol-5-yl]methyl}-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamide

SMILES

CC(C)CC(N(CC1)c2c1cc(CNS(c(cc1)cc(O3)c1N(C)C3=O)(=O)=O)cc2)=O

InChI

InChI=1S/C22H25N3O5S/c1-14(2)10-21(26)25-9-8-16-11-15(4-6-18(16)25)13-23-31(28,29)17-5-7-19-20(12-17)30-22(27)24(19)3/h4-7,11-12,14,23H,8-10,13H2,1-3H3

InChI Key

WDZRIWANPSCVKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27162838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.048

Distribution Coefficient, logD

3.047

Water Solubility, LogSw

-3.69

Polar Surface Area

80.285

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G810-0631 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G810-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G810-0631?
Check Price and Availability of G810-0631, 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 G810-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G810-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G810-0631
  • 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 G810-0631 available by request