L077-0355 Screening compound: methyl 3-[(4-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carbonyl)amino]benzoate

L077-0355 Screening compound: methyl 3-[(4-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carbonyl)amino]benzoate
L077-0355 Screening compound: methyl 3-[(4-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L077-0355
methyl 3-[(4-{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

L077-0355

Molecular Formula

C24H25N5O4S (C24 H25 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(c1nnc(C(CC2)CCN2C(Nc2cc(C(OC)=O)ccc2)=O)s1)=O

InChI

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

InChI Key

KHBFXQUCMSOPAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118057

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

4.169

Distribution Coefficient, logD

4.169

Water Solubility, LogSw

-4.11

Polar Surface Area

93.205

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with L077-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L077-0355?
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What is the minimum amount of L077-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L077-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L077-0355
  • 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 L077-0355 available by request