H025-0477C Screening compound: 3,4-DIMETHOXYPHENYL [2,9-DIMETHYL-2,3,4,5-TETRAHYDROAZEPINO[4,3-B]INDOL-6(1H)-YL] SULFONE

H025-0477C Screening compound: 3,4-DIMETHOXYPHENYL [2,9-DIMETHYL-2,3,4,5-TETRAHYDROAZEPINO[4,3-B]INDOL-6(1H)-YL] SULFONE
H025-0477C Screening compound: 3,4-DIMETHOXYPHENYL [2,9-DIMETHYL-2,3,4,5-TETRAHYDROAZEPINO[4,3-B]INDOL-6(1H)-YL] SULFONE alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0477C
3,4-DIMETHOXYPHENYL [2,9-DIMETHYL-2,3,4,5-TETRAHYDROAZEPINO[4,3-B]INDOL-6(1H)-YL] SULFONE

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

H025-0477C

Molecular Formula

C22H26N2O4S (C22 H26 N2 O4 S)

Compound Name

3,4-DIMETHOXYPHENYL [2,9-DIMETHYL-2,3,4,5-TETRAHYDROAZEPINO[4,3-B]INDOL-6(1H)-YL] SULFONE

IUPAC name

n/a

SMILES

Cc(cc1)cc(c2c3CCCN(C)C2)c1n3S(c(cc1)cc(OC)c1OC)(=O)=O

InChI

InChI=1S/C22H26N2O4S/c1-15-7-9-20-17(12-15)18-14-23(2)11-5-6-19(18)24(20)29(25,26)16-8-10-21(27-3)22(13-16)28-4/h7-10,12-13H,5-6,11,14H2,1-4H3

InChI Key

BRCGWUDXSGDOBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214622

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.532

Distribution Coefficient, logD

0.971

Water Solubility, LogSw

-3.90

Polar Surface Area

46.733

Acid Dissociation Constant (pKa)

26.52

Base Dissociation Constant (pKb)

9.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

H025-0477C in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with H025-0477C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0477C?
Check Price and Availability of H025-0477C, 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 H025-0477C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0477C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0477C
  • 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 H025-0477C available by request