G402-0052 Screening compound: ethyl 3-{3-[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]propanamido}benzoate

G402-0052 Screening compound: ethyl 3-{3-[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]propanamido}benzoate
G402-0052 Screening compound: ethyl 3-{3-[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G402-0052
ethyl 3-{3-[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]propanamido}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

G402-0052

Molecular Formula

C21H28N4O5S (C21 H28 N4 O5 S)

Compound Name

ethyl 3-{3-[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]propanamido}benzoate

IUPAC name

ethyl 3-{3-[35-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]propanamido}benzoate

SMILES

CCOC(c1cccc(NC(CCn2nc(C)c(S(N3CCCC3)(=O)=O)c2C)=O)c1)=O

InChI

InChI=1S/C21H28N4O5S/c1-4-30-21(27)17-8-7-9-18(14-17)22-19(26)10-13-25-16(3)20(15(2)23-25)31(28,29)24-11-5-6-12-24/h7-9,14H,4-6,10-13H2,1-3H3,(H,22,26)

InChI Key

RNUZIIQOROIZAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15009251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.134

Distribution Coefficient, logD

2.134

Water Solubility, LogSw

-2.88

Polar Surface Area

90.479

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

G402-0052 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with G402-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G402-0052?
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What is the minimum amount of G402-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G402-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G402-0052
  • 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 G402-0052 available by request