L693-0539 Screening compound: methyl 4-chloro-2-[({2-[5-(cyclopentylcarbamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}carbamoyl)amino]benzoate

L693-0539 Screening compound: methyl 4-chloro-2-[({2-[5-(cyclopentylcarbamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}carbamoyl)amino]benzoate
L693-0539 Screening compound: methyl 4-chloro-2-[({2-[5-(cyclopentylcarbamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}carbamoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L693-0539
methyl 4-chloro-2-[({2-[5-(cyclopentylcarbamoyl)-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

L693-0539

Molecular Formula

C23H25ClN6O4 (C23 H25 ClN6 O4)

Compound Name

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

IUPAC name

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

SMILES

COC(c(ccc(Cl)c1)c1NC(NCCn1nnc2c1ccc(C(NC1CCCC1)=O)c2)=O)=O

InChI

InChI=1S/C23H25ClN6O4/c1-34-22(32)17-8-7-15(24)13-18(17)27-23(33)25-10-11-30-20-9-6-14(12-19(20)28-29-30)21(31)26-16-4-2-3-5-16/h6-9,12-13,16H,2-5,10-11H2,1H3,(H,26,31)(H2,25,27,33)

InChI Key

RGXPZZBFUIKPCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.926

Distribution Coefficient, logD

2.793

Water Solubility, LogSw

-3.69

Polar Surface Area

104.362

Acid Dissociation Constant (pKa)

7.85

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

L693-0539 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with L693-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L693-0539?
Check Price and Availability of L693-0539, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L693-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L693-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L693-0539
  • 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 L693-0539 available by request