L693-0041 Screening compound: ethyl 2-[({2-[5-(pyrrolidine-1-carbonyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}carbamoyl)amino]acetate

L693-0041 Screening compound: ethyl 2-[({2-[5-(pyrrolidine-1-carbonyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}carbamoyl)amino]acetate
L693-0041 Screening compound: ethyl 2-[({2-[5-(pyrrolidine-1-carbonyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}carbamoyl)amino]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound L693-0041
ethyl 2-[({2-[5-(pyrrolidine-1-carbonyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}carbamoyl)amino]acetate

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

L693-0041

Molecular Formula

C18H24N6O4 (C18 H24 N6 O4)

Compound Name

ethyl 2-[({2-[5-(pyrrolidine-1-carbonyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}carbamoyl)amino]acetate

IUPAC name

ethyl 2-[({2-[5-(pyrrolidine-1-carbonyl)-1H-123-benzotriazol-1-yl]ethyl}carbamoyl)amino]acetate

SMILES

CCOC(CNC(NCCn1nnc2c1ccc(C(N1CCCC1)=O)c2)=O)=O

InChI

InChI=1S/C18H24N6O4/c1-2-28-16(25)12-20-18(27)19-7-10-24-15-6-5-13(11-14(15)21-22-24)17(26)23-8-3-4-9-23/h5-6,11H,2-4,7-10,12H2,1H3,(H2,19,20,27)

InChI Key

DRISZIOMDWZLJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.058

Distribution Coefficient, logD

-0.058

Water Solubility, LogSw

-1.94

Polar Surface Area

98.148

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

L693-0041 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with L693-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L693-0041?
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What is the minimum amount of L693-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L693-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L693-0041
  • 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 L693-0041 available by request