M039-0245 Screening compound: N-cycloheptyl-5-{5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}-2-methoxybenzene-1-sulfonamide

M039-0245 Screening compound: N-cycloheptyl-5-{5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}-2-methoxybenzene-1-sulfonamide
M039-0245 Screening compound: N-cycloheptyl-5-{5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}-2-methoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M039-0245
N-cycloheptyl-5-{5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}-2-methoxybenzene-1-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

M039-0245

Molecular Formula

C22H28N4O3S (C22 H28 N4 O3 S)

Compound Name

N-cycloheptyl-5-{5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}-2-methoxybenzene-1-sulfonamide

IUPAC name

N-cycloheptyl-5-{57-dimethylpyrazolo[15-a]pyrimidin-3-yl}-2-methoxybenzene-1-sulfonamide

SMILES

Cc(n1nc2)cc(C)nc1c2-c(cc1)cc(S(NC2CCCCCC2)(=O)=O)c1OC

InChI

InChI=1S/C22H28N4O3S/c1-15-12-16(2)26-22(24-15)19(14-23-26)17-10-11-20(29-3)21(13-17)30(27,28)25-18-8-6-4-5-7-9-18/h10-14,18,25H,4-9H2,1-3H3

InChI Key

IESGKQSAZBNHHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.160

Distribution Coefficient, logD

4.160

Water Solubility, LogSw

-4.13

Polar Surface Area

69.603

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

M039-0245 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with M039-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M039-0245?
Check Price and Availability of M039-0245, 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 M039-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M039-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M039-0245
  • 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 M039-0245 available by request