4715-0133 Screening compound: ethyl 2-(5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}-1,3,4-thiadiazol-2-yl)acetate

4715-0133 Screening compound: ethyl 2-(5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}-1,3,4-thiadiazol-2-yl)acetate
4715-0133 Screening compound: ethyl 2-(5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}-1,3,4-thiadiazol-2-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4715-0133
ethyl 2-(5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}-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

4715-0133

Molecular Formula

C15H15N7O3S2 (C15 H15 N7 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(Cc1nnc(NC(CSc2nnnn2-c2ccccc2)=O)s1)=O

InChI

InChI=1S/C15H15N7O3S2/c1-2-25-13(24)8-12-17-18-14(27-12)16-11(23)9-26-15-19-20-21-22(15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,16,18,23)

InChI Key

YMXFXDCABULPJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03197213

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

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.911

Distribution Coefficient, logD

1.897

Water Solubility, LogSw

-2.44

Polar Surface Area

107.237

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

4715-0133 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4715-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4715-0133?
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What is the minimum amount of 4715-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4715-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4715-0133
  • 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 4715-0133 available by request