3388-0207 Screening compound: ethyl 2-[5-(2-methylbenzamido)-1,3,4-thiadiazol-2-yl]acetate

3388-0207 Screening compound: ethyl 2-[5-(2-methylbenzamido)-1,3,4-thiadiazol-2-yl]acetate
3388-0207 Screening compound: ethyl 2-[5-(2-methylbenzamido)-1,3,4-thiadiazol-2-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3388-0207
ethyl 2-[5-(2-methylbenzamido)-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

3388-0207

Molecular Formula

C14H15N3O3S (C14 H15 N3 O3 S)

Compound Name

ethyl 2-[5-(2-methylbenzamido)-1,3,4-thiadiazol-2-yl]acetate

IUPAC name

ethyl 2-[5-(2-methylbenzamido)-134-thiadiazol-2-yl]acetate

SMILES

CCOC(Cc1nnc(NC(c2c(C)cccc2)=O)s1)=O

InChI

InChI=1S/C14H15N3O3S/c1-3-20-12(18)8-11-16-17-14(21-11)15-13(19)10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3,(H,15,17,19)

InChI Key

SMNNTOXZPPOPMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01043797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.477

Distribution Coefficient, logD

1.701

Water Solubility, LogSw

-2.93

Polar Surface Area

67.529

Acid Dissociation Constant (pKa)

6.70

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3388-0207 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3388-0207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3388-0207?
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What is the minimum amount of 3388-0207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3388-0207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3388-0207
  • 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 3388-0207 available by request