L790-0087 Screening compound: ethyl 2-{[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}acetate

L790-0087 Screening compound: ethyl 2-{[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}acetate
L790-0087 Screening compound: ethyl 2-{[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound L790-0087
ethyl 2-{[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}acetate

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

L790-0087

Molecular Formula

C17H17N5O4S2 (C17 H17 N5 O4 S2)

Compound Name

ethyl 2-{[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}acetate

IUPAC name

ethyl 2-{[5-({[5-(2-methylphenyl)-134-oxadiazol-2-yl]methyl}sulfanyl)-134-thiadiazol-2-yl]carbamoyl}acetate

SMILES

CCOC(CC(Nc1nnc(SCc2nnc(-c3c(C)cccc3)o2)s1)=O)=O

InChI

InChI=1S/C17H17N5O4S2/c1-3-25-14(24)8-12(23)18-16-21-22-17(28-16)27-9-13-19-20-15(26-13)11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,18,21,23)

InChI Key

YUFYPKAPPMVSMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.727

Distribution Coefficient, logD

2.725

Water Solubility, LogSw

-3.33

Polar Surface Area

96.362

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

L790-0087 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L790-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L790-0087?
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What is the minimum amount of L790-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L790-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L790-0087
  • 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 L790-0087 available by request