8014-1948 Screening compound: ethyl 2-(5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)acetate

8014-1948 Screening compound: ethyl 2-(5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)acetate
8014-1948 Screening compound: ethyl 2-(5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1948
ethyl 2-(5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)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

8014-1948

Molecular Formula

C17H19N7O3S2 (C17 H19 N7 O3 S2)

Compound Name

ethyl 2-(5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)acetate

IUPAC name

ethyl 2-(5-{2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]butanamido}-134-thiadiazol-2-yl)acetate

SMILES

CCC(C(Nc1nnc(CC(OCC)=O)s1)=O)Sc1nnnn1-c1ccccc1

InChI

InChI=1S/C17H19N7O3S2/c1-3-12(28-17-21-22-23-24(17)11-8-6-5-7-9-11)15(26)18-16-20-19-13(29-16)10-14(25)27-4-2/h5-9,12H,3-4,10H2,1-2H3,(H,18,20,26)/t12-/m0/s1

InChI Key

BFTMBRHGLCVUBW-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03768089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.039

Distribution Coefficient, logD

3.001

Water Solubility, LogSw

-3.32

Polar Surface Area

107.451

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

-2.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.29

8014-1948 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8014-1948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1948?
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What is the minimum amount of 8014-1948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1948
  • 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 8014-1948 available by request