L083-0081 Screening compound: 5-({4-[(butan-2-yl)carbamoyl]phenoxy}methyl)-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide

L083-0081 Screening compound: 5-({4-[(butan-2-yl)carbamoyl]phenoxy}methyl)-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
L083-0081 Screening compound: 5-({4-[(butan-2-yl)carbamoyl]phenoxy}methyl)-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L083-0081
5-({4-[(butan-2-yl)carbamoyl]phenoxy}methyl)-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide

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

L083-0081

Molecular Formula

C21H21ClN4O3S (C21 H21 ClN4 O3 S)

Compound Name

5-({4-[(butan-2-yl)carbamoyl]phenoxy}methyl)-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-({4-[(butan-2-yl)carbamoyl]phenoxy}methyl)-N-(4-chlorophenyl)-134-thiadiazole-2-carboxamide

SMILES

CCC(C)NC(c(cc1)ccc1OCc1nnc(C(Nc(cc2)ccc2Cl)=O)s1)=O

InChI

InChI=1S/C21H21ClN4O3S/c1-3-13(2)23-19(27)14-4-10-17(11-5-14)29-12-18-25-26-21(30-18)20(28)24-16-8-6-15(22)7-9-16/h4-11,13H,3,12H2,1-2H3,(H,23,27)(H,24,28)/t13-/m0/s1

InChI Key

VQCNGHCUFBSRBP-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD15118213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.651

Distribution Coefficient, logD

3.648

Water Solubility, LogSw

-4.21

Polar Surface Area

78.683

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

L083-0081 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L083-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L083-0081?
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What is the minimum amount of L083-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L083-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L083-0081
  • 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 L083-0081 available by request