L693-0120 Screening compound: 1-(3-bromophenyl)-3-{2-[5-(piperidine-1-carbonyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}urea

L693-0120 Screening compound: 1-(3-bromophenyl)-3-{2-[5-(piperidine-1-carbonyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}urea
L693-0120 Screening compound: 1-(3-bromophenyl)-3-{2-[5-(piperidine-1-carbonyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L693-0120
1-(3-bromophenyl)-3-{2-[5-(piperidine-1-carbonyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}urea

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

L693-0120

Molecular Formula

C21H23BrN6O2 (C21 H23 BrN6 O2)

Compound Name

1-(3-bromophenyl)-3-{2-[5-(piperidine-1-carbonyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}urea

IUPAC name

1-(3-bromophenyl)-3-{2-[5-(piperidine-1-carbonyl)-1H-123-benzotriazol-1-yl]ethyl}urea

SMILES

O=C(c(cc1)cc2c1n(CCNC(Nc1cccc(Br)c1)=O)nn2)N1CCCCC1

InChI

InChI=1S/C21H23BrN6O2/c22-16-5-4-6-17(14-16)24-21(30)23-9-12-28-19-8-7-15(13-18(19)25-26-28)20(29)27-10-2-1-3-11-27/h4-8,13-14H,1-3,9-12H2,(H2,23,24,30)

InChI Key

XEYVRZQUZSJJOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.967

Distribution Coefficient, logD

2.967

Water Solubility, LogSw

-3.21

Polar Surface Area

76.029

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L693-0120 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with L693-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L693-0120?
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What is the minimum amount of L693-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L693-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L693-0120
  • 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 L693-0120 available by request