L065-0513 Screening compound: methyl 3-[(3-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carbonyl)amino]benzoate

L065-0513 Screening compound: methyl 3-[(3-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carbonyl)amino]benzoate
L065-0513 Screening compound: methyl 3-[(3-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L065-0513
methyl 3-[(3-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carbonyl)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

L065-0513

Molecular Formula

C24H25N5O4S (C24 H25 N5 O4 S)

Compound Name

methyl 3-[(3-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carbonyl)amino]benzoate

IUPAC name

methyl 3-[(3-{5-[(4-methylphenyl)carbamoyl]-134-thiadiazol-2-yl}piperidine-1-carbonyl)amino]benzoate

SMILES

Cc(cc1)ccc1NC(c1nnc(C(CCC2)CN2C(Nc2cc(C(OC)=O)ccc2)=O)s1)=O

InChI

InChI=1S/C24H25N5O4S/c1-15-8-10-18(11-9-15)25-20(30)22-28-27-21(34-22)17-6-4-12-29(14-17)24(32)26-19-7-3-5-16(13-19)23(31)33-2/h3,5,7-11,13,17H,4,6,12,14H2,1-2H3,(H,25,30)(H,26,32)/t17-/m0/s1

InChI Key

LRAWQGDUQQNXBK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15117298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.243

Distribution Coefficient, logD

4.243

Water Solubility, LogSw

-4.23

Polar Surface Area

93.139

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

L065-0513 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L065-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L065-0513?
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What is the minimum amount of L065-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L065-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L065-0513
  • 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 L065-0513 available by request