M513-1802 Screening compound: 1-(3,4-dimethylbenzenesulfonyl)-4-(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)piperazine

M513-1802 Screening compound: 1-(3,4-dimethylbenzenesulfonyl)-4-(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)piperazine
M513-1802 Screening compound: 1-(3,4-dimethylbenzenesulfonyl)-4-(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound M513-1802
1-(3,4-dimethylbenzenesulfonyl)-4-(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)piperazine

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

M513-1802

Molecular Formula

C22H28N4O2S (C22 H28 N4 O2 S)

Compound Name

1-(3,4-dimethylbenzenesulfonyl)-4-(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)piperazine

IUPAC name

1-(34-dimethylbenzenesulfonyl)-4-(2-{1-methyl-1H-pyrrolo[23-b]pyridin-3-yl}ethyl)piperazine

SMILES

Cc(cc1)c(C)cc1S(N1CCN(CCc2cn(C)c3c2cccn3)CC1)(=O)=O

InChI

InChI=1S/C22H28N4O2S/c1-17-6-7-20(15-18(17)2)29(27,28)26-13-11-25(12-14-26)10-8-19-16-24(3)22-21(19)5-4-9-23-22/h4-7,9,15-16H,8,10-14H2,1-3H3

InChI Key

VFWANMCENHCFDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27546075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.097

Distribution Coefficient, logD

3.054

Water Solubility, LogSw

-3.10

Polar Surface Area

47.934

Acid Dissociation Constant (pKa)

26.08

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

M513-1802 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with M513-1802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M513-1802?
Check Price and Availability of M513-1802, 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 M513-1802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M513-1802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M513-1802
  • 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 M513-1802 available by request