L065-0480 Screening compound: ethyl 4-[(3-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carbonyl)amino]benzoate

L065-0480 Screening compound: ethyl 4-[(3-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carbonyl)amino]benzoate
L065-0480 Screening compound: ethyl 4-[(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 L065-0480
ethyl 4-[(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

L065-0480

Molecular Formula

C25H27N5O4S (C25 H27 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(N(CCC1)CC1c1nnc(C(Nc2ccc(C)cc2)=O)s1)=O)=O

InChI

InChI=1S/C25H27N5O4S/c1-3-34-24(32)17-8-12-20(13-9-17)27-25(33)30-14-4-5-18(15-30)22-28-29-23(35-22)21(31)26-19-10-6-16(2)7-11-19/h6-13,18H,3-5,14-15H2,1-2H3,(H,26,31)(H,27,33)/t18-/m0/s1

InChI Key

DGSUFUKMZHRZGJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15117275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.573

Distribution Coefficient, logD

4.573

Water Solubility, LogSw

-4.21

Polar Surface Area

92.718

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

L065-0480 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L065-0480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L065-0480?
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What is the minimum amount of L065-0480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L065-0480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L065-0480
  • 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 L065-0480 available by request