P177-0258 Screening compound: methyl 2-{[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]sulfamoyl}benzoate

P177-0258 Screening compound: methyl 2-{[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]sulfamoyl}benzoate
P177-0258 Screening compound: methyl 2-{[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]sulfamoyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P177-0258
methyl 2-{[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]sulfamoyl}benzoate

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

P177-0258

Molecular Formula

C16H15N3O4S2 (C16 H15 N3 O4 S2)

Compound Name

methyl 2-{[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]sulfamoyl}benzoate

IUPAC name

methyl 2-{[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]sulfamoyl}benzoate

SMILES

Cc(sc(-c1ccn[nH]1)c1)c1NS(c(cccc1)c1C(OC)=O)(=O)=O

InChI

InChI=1S/C16H15N3O4S2/c1-10-13(9-14(24-10)12-7-8-17-18-12)19-25(21,22)15-6-4-3-5-11(15)16(20)23-2/h3-9,19H,1-2H3,(H,17,18)

InChI Key

JWHOVVKHPNKXMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.965

Distribution Coefficient, logD

2.962

Water Solubility, LogSw

-3.58

Polar Surface Area

85.712

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

P177-0258 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P177-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P177-0258?
Check Price and Availability of P177-0258, 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 P177-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P177-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P177-0258
  • 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 P177-0258 available by request