L083-0841 Screening compound: N-(2-methylphenyl)-5-[(4-{[(oxolan-2-yl)methyl]carbamoyl}phenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide

L083-0841 Screening compound: N-(2-methylphenyl)-5-[(4-{[(oxolan-2-yl)methyl]carbamoyl}phenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
L083-0841 Screening compound: N-(2-methylphenyl)-5-[(4-{[(oxolan-2-yl)methyl]carbamoyl}phenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L083-0841
N-(2-methylphenyl)-5-[(4-{[(oxolan-2-yl)methyl]carbamoyl}phenoxy)methyl]-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

L083-0841

Molecular Formula

C23H24N4O4S (C23 H24 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1NC(c1nnc(COc(cc2)ccc2C(NCC2OCCC2)=O)s1)=O

InChI

InChI=1S/C23H24N4O4S/c1-15-5-2-3-7-19(15)25-22(29)23-27-26-20(32-23)14-31-17-10-8-16(9-11-17)21(28)24-13-18-6-4-12-30-18/h2-3,5,7-11,18H,4,6,12-14H2,1H3,(H,24,28)(H,25,29)/t18-/m1/s1

InChI Key

MNNPGXHVLDBHBT-GOSISDBHSA-N

MDL Number (MFCD)

MFCD15118296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.320

Distribution Coefficient, logD

2.320

Water Solubility, LogSw

-2.64

Polar Surface Area

86.926

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

L083-0841 in Drug Discovery

Included in Screening Libraries

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

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with L083-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L083-0841?
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What is the minimum amount of L083-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L083-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L083-0841
  • 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 L083-0841 available by request