L693-0553 Screening compound: N-cyclopentyl-1-(2-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]amino}ethyl)-1H-1,2,3-benzotriazole-5-carboxamide

L693-0553 Screening compound: N-cyclopentyl-1-(2-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]amino}ethyl)-1H-1,2,3-benzotriazole-5-carboxamide
L693-0553 Screening compound: N-cyclopentyl-1-(2-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]amino}ethyl)-1H-1,2,3-benzotriazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L693-0553
N-cyclopentyl-1-(2-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]amino}ethyl)-1H-1,2,3-benzotriazole-5-carboxamide

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

L693-0553

Molecular Formula

C23H26N6O4 (C23 H26 N6 O4)

Compound Name

N-cyclopentyl-1-(2-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]amino}ethyl)-1H-1,2,3-benzotriazole-5-carboxamide

IUPAC name

N-cyclopentyl-1-(2-{[(23-dihydro-14-benzodioxin-6-yl)carbamoyl]amino}ethyl)-1H-123-benzotriazole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1n(CCNC(Nc(cc1)cc3c1OCCO3)=O)nn2)NC1CCCC1

InChI

InChI=1S/C23H26N6O4/c30-22(25-16-3-1-2-4-16)15-5-7-19-18(13-15)27-28-29(19)10-9-24-23(31)26-17-6-8-20-21(14-17)33-12-11-32-20/h5-8,13-14,16H,1-4,9-12H2,(H,25,30)(H2,24,26,31)

InChI Key

PRGBSNNRXRYWCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.678

Distribution Coefficient, logD

1.678

Water Solubility, LogSw

-2.30

Polar Surface Area

99.709

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

L693-0553 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with L693-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L693-0553?
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What is the minimum amount of L693-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L693-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L693-0553
  • 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 L693-0553 available by request