L693-0042 Screening compound: methyl 4-chloro-2-[({2-[5-(pyrrolidine-1-carbonyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}carbamoyl)amino]benzoate

L693-0042 Screening compound: methyl 4-chloro-2-[({2-[5-(pyrrolidine-1-carbonyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}carbamoyl)amino]benzoate
L693-0042 Screening compound: methyl 4-chloro-2-[({2-[5-(pyrrolidine-1-carbonyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}carbamoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L693-0042
methyl 4-chloro-2-[({2-[5-(pyrrolidine-1-carbonyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}carbamoyl)amino]benzoate

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

L693-0042

Molecular Formula

C22H23ClN6O4 (C22 H23 ClN6 O4)

Compound Name

methyl 4-chloro-2-[({2-[5-(pyrrolidine-1-carbonyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}carbamoyl)amino]benzoate

IUPAC name

methyl 4-chloro-2-[({2-[5-(pyrrolidine-1-carbonyl)-1H-123-benzotriazol-1-yl]ethyl}carbamoyl)amino]benzoate

SMILES

COC(c(ccc(Cl)c1)c1NC(NCCn1nnc2c1ccc(C(N1CCCC1)=O)c2)=O)=O

InChI

InChI=1S/C22H23ClN6O4/c1-33-21(31)16-6-5-15(23)13-17(16)25-22(32)24-8-11-29-19-7-4-14(12-18(19)26-27-29)20(30)28-9-2-3-10-28/h4-7,12-13H,2-3,8-11H2,1H3,(H2,24,25,32)

InChI Key

OUZGAUHKDNVESS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.092

Distribution Coefficient, logD

1.959

Water Solubility, LogSw

-3.42

Polar Surface Area

96.871

Acid Dissociation Constant (pKa)

7.85

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L693-0042 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with L693-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L693-0042?
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What is the minimum amount of L693-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L693-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L693-0042
  • 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 L693-0042 available by request