8016-0051 Screening compound: methyl 2-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)-2-phenylacetate

8016-0051 Screening compound: methyl 2-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)-2-phenylacetate
8016-0051 Screening compound: methyl 2-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)-2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0051
methyl 2-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)-2-phenylacetate

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

8016-0051

Molecular Formula

C14H15N3O3S2 (C14 H15 N3 O3 S2)

Compound Name

methyl 2-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)-2-phenylacetate

IUPAC name

methyl 2-{2-[(5-methyl-134-thiadiazol-2-yl)sulfanyl]acetamido}-2-phenylacetate

SMILES

Cc1nnc(SCC(NC(C(OC)=O)c2ccccc2)=O)s1

InChI

InChI=1S/C14H15N3O3S2/c1-9-16-17-14(22-9)21-8-11(18)15-12(13(19)20-2)10-6-4-3-5-7-10/h3-7,12H,8H2,1-2H3,(H,15,18)/t12-/m1/s1

InChI Key

WYZHJFIYFQYPDP-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD05259617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.238

Distribution Coefficient, logD

1.238

Water Solubility, LogSw

-2.09

Polar Surface Area

67.636

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with 8016-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0051?
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What is the minimum amount of 8016-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0051
  • 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 8016-0051 available by request