C798-1423 Screening compound: 1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}pyrrolidine-2-carboxylic acid

C798-1423 Screening compound: 1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}pyrrolidine-2-carboxylic acid
C798-1423 Screening compound: 1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}pyrrolidine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-1423
1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}pyrrolidine-2-carboxylic 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

C798-1423

Molecular Formula

C14H18N4O5S (C14 H18 N4 O5 S)

Compound Name

1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}pyrrolidine-2-carboxylic acid

IUPAC name

1-{[1-(2-methoxyethyl)-1H-123-benzotriazol-5-yl]sulfonyl}pyrrolidine-2-carboxylic acid

SMILES

COCCn1nnc2c1ccc(S(N(CCC1)C1C(O)=O)(=O)=O)c2

InChI

InChI=1S/C14H18N4O5S/c1-23-8-7-17-12-5-4-10(9-11(12)15-16-17)24(21,22)18-6-2-3-13(18)14(19)20/h4-5,9,13H,2-3,6-8H2,1H3,(H,19,20)/t13-/m0/s1

InChI Key

HOLRUNHBAXBPDD-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14799310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.320

Distribution Coefficient, logD

-4.052

Water Solubility, LogSw

-1.91

Polar Surface Area

95.213

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C798-1423 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Integrin Receptors Targeted library (1715 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C798-1423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-1423?
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What is the minimum amount of C798-1423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-1423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-1423
  • 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 C798-1423 available by request