G830-0926 Screening compound: ethyl 4-(2-aminopyrimidine-5-sulfonamido)benzoate

G830-0926 Screening compound: ethyl 4-(2-aminopyrimidine-5-sulfonamido)benzoate
G830-0926 Screening compound: ethyl 4-(2-aminopyrimidine-5-sulfonamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G830-0926
ethyl 4-(2-aminopyrimidine-5-sulfonamido)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

G830-0926

Molecular Formula

C13H14N4O4S (C13 H14 N4 O4 S)

Compound Name

ethyl 4-(2-aminopyrimidine-5-sulfonamido)benzoate

IUPAC name

ethyl 4-(2-aminopyrimidine-5-sulfonamido)benzoate

SMILES

CCOC(c(cc1)ccc1NS(c1cnc(N)nc1)(=O)=O)=O

InChI

InChI=1S/C13H14N4O4S/c1-2-21-12(18)9-3-5-10(6-4-9)17-22(19,20)11-7-15-13(14)16-8-11/h3-8,17H,2H2,1H3,(H2,14,15,16)

InChI Key

DETAVXIAFLEUCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.497

Distribution Coefficient, logD

1.494

Water Solubility, LogSw

-2.59

Polar Surface Area

101.722

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

G830-0926 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G830-0926 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G830-0926?
Check Price and Availability of G830-0926, 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 G830-0926 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G830-0926
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G830-0926
  • 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 G830-0926 available by request