G070-1531 Screening compound: methyl 1-methyl-4-({2-[4-(methylsulfanyl)phenyl]ethyl}sulfamoyl)-1H-pyrrole-2-carboxylate

G070-1531 Screening compound: methyl 1-methyl-4-({2-[4-(methylsulfanyl)phenyl]ethyl}sulfamoyl)-1H-pyrrole-2-carboxylate
G070-1531 Screening compound: methyl 1-methyl-4-({2-[4-(methylsulfanyl)phenyl]ethyl}sulfamoyl)-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G070-1531
methyl 1-methyl-4-({2-[4-(methylsulfanyl)phenyl]ethyl}sulfamoyl)-1H-pyrrole-2-carboxylate

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

G070-1531

Molecular Formula

C16H20N2O4S2 (C16 H20 N2 O4 S2)

Compound Name

methyl 1-methyl-4-({2-[4-(methylsulfanyl)phenyl]ethyl}sulfamoyl)-1H-pyrrole-2-carboxylate

IUPAC name

methyl 1-methyl-4-({2-[4-(methylsulfanyl)phenyl]ethyl}sulfamoyl)-1H-pyrrole-2-carboxylate

SMILES

Cn1c(C(OC)=O)cc(S(NCCc(cc2)ccc2SC)(=O)=O)c1

InChI

InChI=1S/C16H20N2O4S2/c1-18-11-14(10-15(18)16(19)22-2)24(20,21)17-9-8-12-4-6-13(23-3)7-5-12/h4-7,10-11,17H,8-9H2,1-3H3

InChI Key

BYJABCHKBJHDNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14978969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.429

Distribution Coefficient, logD

2.429

Water Solubility, LogSw

-2.88

Polar Surface Area

65.322

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

G070-1531 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G070-1531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G070-1531?
Check Price and Availability of G070-1531, 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 G070-1531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G070-1531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G070-1531
  • 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 G070-1531 available by request