L693-0425 Screening compound: 1-(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)-N-(propan-2-yl)-1H-1,2,3-benzotriazole-5-carboxamide

L693-0425 Screening compound: 1-(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)-N-(propan-2-yl)-1H-1,2,3-benzotriazole-5-carboxamide
L693-0425 Screening compound: 1-(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)-N-(propan-2-yl)-1H-1,2,3-benzotriazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L693-0425
1-(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)-N-(propan-2-yl)-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

L693-0425

Molecular Formula

C21H26N6O2 (C21 H26 N6 O2)

Compound Name

1-(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)-N-(propan-2-yl)-1H-1,2,3-benzotriazole-5-carboxamide

IUPAC name

1-(2-{[(35-dimethylphenyl)carbamoyl]amino}ethyl)-N-(propan-2-yl)-1H-123-benzotriazole-5-carboxamide

SMILES

CC(C)NC(c(cc1)cc2c1n(CCNC(Nc1cc(C)cc(C)c1)=O)nn2)=O

InChI

InChI=1S/C21H26N6O2/c1-13(2)23-20(28)16-5-6-19-18(12-16)25-26-27(19)8-7-22-21(29)24-17-10-14(3)9-15(4)11-17/h5-6,9-13H,7-8H2,1-4H3,(H,23,28)(H2,22,24,29)

InChI Key

VBDKJKMZHLFLBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.48

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

2.675

Distribution Coefficient, logD

2.675

Water Solubility, LogSw

-3.10

Polar Surface Area

83.040

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with L693-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L693-0425?
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What is the minimum amount of L693-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L693-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L693-0425
  • 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 L693-0425 available by request