Y031-0027 Screening compound: 3-(2-ethylbutanamido)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide

Y031-0027 Screening compound: 3-(2-ethylbutanamido)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
Y031-0027 Screening compound: 3-(2-ethylbutanamido)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0027
3-(2-ethylbutanamido)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide

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

Y031-0027

Molecular Formula

C23H26N4O2S (C23 H26 N4 O2 S)

Compound Name

3-(2-ethylbutanamido)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide

IUPAC name

3-(2-ethylbutanamido)-N-[5-(2-phenylethyl)-134-thiadiazol-2-yl]benzamide

SMILES

CCC(CC)C(Nc1cccc(C(Nc2nnc(CCc3ccccc3)s2)=O)c1)=O

InChI

InChI=1S/C23H26N4O2S/c1-3-17(4-2)21(28)24-19-12-8-11-18(15-19)22(29)25-23-27-26-20(30-23)14-13-16-9-6-5-7-10-16/h5-12,15,17H,3-4,13-14H2,1-2H3,(H,24,28)(H,25,27,29)

InChI Key

PTLWAZYCICTSQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06151270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.384

Distribution Coefficient, logD

4.623

Water Solubility, LogSw

-5.33

Polar Surface Area

70.461

Acid Dissociation Constant (pKa)

6.72

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with Y031-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0027?
Check Price and Availability of Y031-0027, 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 Y031-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0027
  • 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 Y031-0027 available by request