L693-0467 Screening compound: 1-(2-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]amino}ethyl)-N-(propan-2-yl)-1H-1,2,3-benzotriazole-5-carboxamide

L693-0467 Screening compound: 1-(2-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]amino}ethyl)-N-(propan-2-yl)-1H-1,2,3-benzotriazole-5-carboxamide
L693-0467 Screening compound: 1-(2-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]amino}ethyl)-N-(propan-2-yl)-1H-1,2,3-benzotriazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L693-0467
1-(2-{[(2,3-dihydro-1,4-benzodioxin-6-yl)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

L693-0467

Molecular Formula

C21H24N6O4 (C21 H24 N6 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H24N6O4/c1-13(2)23-20(28)14-3-5-17-16(11-14)25-26-27(17)8-7-22-21(29)24-15-4-6-18-19(12-15)31-10-9-30-18/h3-6,11-13H,7-10H2,1-2H3,(H,23,28)(H2,22,24,29)

InChI Key

NNXMFDFJAHTPHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.46

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

0.955

Distribution Coefficient, logD

0.955

Water Solubility, LogSw

-2.12

Polar Surface Area

98.863

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L693-0467 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L693-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L693-0467?
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What is the minimum amount of L693-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L693-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L693-0467
  • 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 L693-0467 available by request