L790-0106 Screening compound: methyl 2-{[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}acetate

L790-0106 Screening compound: methyl 2-{[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}acetate
L790-0106 Screening compound: methyl 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 L790-0106
methyl 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

L790-0106

Molecular Formula

C16H15N5O4S2 (C16 H15 N5 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-c1nnc(CSc2nnc(NC(CC(OC)=O)=O)s2)o1

InChI

InChI=1S/C16H15N5O4S2/c1-9-5-3-4-6-10(9)14-19-18-12(25-14)8-26-16-21-20-15(27-16)17-11(22)7-13(23)24-2/h3-6H,7-8H2,1-2H3,(H,17,20,22)

InChI Key

VPRMZLISSUYDGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.275

Distribution Coefficient, logD

2.273

Water Solubility, LogSw

-2.91

Polar Surface Area

96.782

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L790-0106 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L790-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L790-0106?
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What is the minimum amount of L790-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L790-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L790-0106
  • 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 L790-0106 available by request