F293-1064 Screening compound: 5-[(ethylsulfonyl)amino]-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}nicotinic acid

F293-1064 Screening compound: 5-[(ethylsulfonyl)amino]-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}nicotinic acid
F293-1064 Screening compound: 5-[(ethylsulfonyl)amino]-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}nicotinic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F293-1064
5-[(ethylsulfonyl)amino]-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}nicotinic acid

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

F293-1064

Molecular Formula

C17H25N5O4S (C17 H25 N5 O4 S)

Compound Name

5-[(ethylsulfonyl)amino]-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}nicotinic acid

IUPAC name

5-ethanesulfonamido-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}pyridine-3-carboxylic acid

SMILES

CCCn1nc(C)cc1CN(C)c(c(C(O)=O)c1)ncc1NS(CC)(=O)=O

InChI

InChI=1S/C17H25N5O4S/c1-5-7-22-14(8-12(3)19-22)11-21(4)16-15(17(23)24)9-13(10-18-16)20-27(25,26)6-2/h8-10,20H,5-7,11H2,1-4H3,(H,23,24)

InChI Key

NZODTQIZCXLMNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27113067

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.856

Distribution Coefficient, logD

0.525

Water Solubility, LogSw

-2.49

Polar Surface Area

96.716

Acid Dissociation Constant (pKa)

6.85

Base Dissociation Constant (pKb)

5.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.06

F293-1064 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 F293-1064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F293-1064?
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What is the minimum amount of F293-1064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F293-1064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F293-1064
  • 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 F293-1064 available by request