L693-0358 Screening compound: 1-(2-{[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]amino}ethyl)-N,N-diethyl-1H-1,2,3-benzotriazole-5-carboxamide

L693-0358 Screening compound: 1-(2-{[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]amino}ethyl)-N,N-diethyl-1H-1,2,3-benzotriazole-5-carboxamide
L693-0358 Screening compound: 1-(2-{[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]amino}ethyl)-N,N-diethyl-1H-1,2,3-benzotriazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L693-0358
1-(2-{[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]amino}ethyl)-N,N-diethyl-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

L693-0358

Molecular Formula

C22H27ClN6O4 (C22 H27 ClN6 O4)

Compound Name

1-(2-{[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]amino}ethyl)-N,N-diethyl-1H-1,2,3-benzotriazole-5-carboxamide

IUPAC name

1-(2-{[(5-chloro-24-dimethoxyphenyl)carbamoyl]amino}ethyl)-NN-diethyl-1H-123-benzotriazole-5-carboxamide

SMILES

CCN(CC)C(c(cc1)cc2c1n(CCNC(Nc(c(OC)c1)cc(Cl)c1OC)=O)nn2)=O

InChI

InChI=1S/C22H27ClN6O4/c1-5-28(6-2)21(30)14-7-8-18-16(11-14)26-27-29(18)10-9-24-22(31)25-17-12-15(23)19(32-3)13-20(17)33-4/h7-8,11-13H,5-6,9-10H2,1-4H3,(H2,24,25,31)

InChI Key

LWUIWOJBFQYTMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.110

Distribution Coefficient, logD

2.109

Water Solubility, LogSw

-3.29

Polar Surface Area

89.876

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

L693-0358 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L693-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L693-0358?
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What is the minimum amount of L693-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L693-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L693-0358
  • 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 L693-0358 available by request