3388-0912 Screening compound: N-{5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-methylbutanamide

3388-0912 Screening compound: N-{5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-methylbutanamide
3388-0912 Screening compound: N-{5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3388-0912
N-{5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-methylbutanamide

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

3388-0912

Molecular Formula

C14H16FN3OS (C14 H16 FN3 OS)

Compound Name

N-{5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-methylbutanamide

IUPAC name

N-{5-[(2-fluorophenyl)methyl]-134-thiadiazol-2-yl}-3-methylbutanamide

SMILES

CC(C)CC(Nc1nnc(Cc(cccc2)c2F)s1)=O

InChI

InChI=1S/C14H16FN3OS/c1-9(2)7-12(19)16-14-18-17-13(20-14)8-10-5-3-4-6-11(10)15/h3-6,9H,7-8H2,1-2H3,(H,16,18,19)

InChI Key

YBIZMRYMGMHGJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01364186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.717

Distribution Coefficient, logD

3.684

Water Solubility, LogSw

-4.04

Polar Surface Area

47.156

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

-3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.71

3388-0912 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3388-0912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3388-0912?
Check Price and Availability of 3388-0912, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3388-0912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3388-0912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3388-0912
  • 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 3388-0912 available by request