L693-0525 Screening compound: 1-(2-{[(2-bromophenyl)carbamoyl]amino}ethyl)-N-cyclopentyl-1H-1,2,3-benzotriazole-5-carboxamide

L693-0525 Screening compound: 1-(2-{[(2-bromophenyl)carbamoyl]amino}ethyl)-N-cyclopentyl-1H-1,2,3-benzotriazole-5-carboxamide
L693-0525 Screening compound: 1-(2-{[(2-bromophenyl)carbamoyl]amino}ethyl)-N-cyclopentyl-1H-1,2,3-benzotriazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L693-0525
1-(2-{[(2-bromophenyl)carbamoyl]amino}ethyl)-N-cyclopentyl-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

L693-0525

Molecular Formula

C21H23BrN6O2 (C21 H23 BrN6 O2)

Compound Name

1-(2-{[(2-bromophenyl)carbamoyl]amino}ethyl)-N-cyclopentyl-1H-1,2,3-benzotriazole-5-carboxamide

IUPAC name

1-(2-{[(2-bromophenyl)carbamoyl]amino}ethyl)-N-cyclopentyl-1H-123-benzotriazole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1n(CCNC(Nc(cccc1)c1Br)=O)nn2)NC1CCCC1

InChI

InChI=1S/C21H23BrN6O2/c22-16-7-3-4-8-17(16)25-21(30)23-11-12-28-19-10-9-14(13-18(19)26-27-28)20(29)24-15-5-1-2-6-15/h3-4,7-10,13,15H,1-2,5-6,11-12H2,(H,24,29)(H2,23,25,30)

InChI Key

HXCMRUGZOJHHSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.969

Distribution Coefficient, logD

2.969

Water Solubility, LogSw

-3.36

Polar Surface Area

83.188

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L693-0525 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with L693-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L693-0525?
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What is the minimum amount of L693-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L693-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L693-0525
  • 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 L693-0525 available by request