Y030-9037 Screening compound: 3-benzamido-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide

Y030-9037 Screening compound: 3-benzamido-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide
Y030-9037 Screening compound: 3-benzamido-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-9037
3-benzamido-N-[5-(pentan-3-yl)-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

Y030-9037

Molecular Formula

C21H22N4O2S (C21 H22 N4 O2 S)

Compound Name

3-benzamido-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide

IUPAC name

3-benzamido-N-[5-(pentan-3-yl)-134-thiadiazol-2-yl]benzamide

SMILES

CCC(CC)c1nnc(NC(c2cc(NC(c3ccccc3)=O)ccc2)=O)s1

InChI

InChI=1S/C21H22N4O2S/c1-3-14(4-2)20-24-25-21(28-20)23-19(27)16-11-8-12-17(13-16)22-18(26)15-9-6-5-7-10-15/h5-14H,3-4H2,1-2H3,(H,22,26)(H,23,25,27)

InChI Key

FGGJOUKMVNIMSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03930481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.046

Distribution Coefficient, logD

4.284

Water Solubility, LogSw

-4.62

Polar Surface Area

69.966

Acid Dissociation Constant (pKa)

6.72

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

Y030-9037 in Drug Discovery

Included in Screening Libraries

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y030-9037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-9037?
Check Price and Availability of Y030-9037, 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 Y030-9037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-9037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-9037
  • 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 Y030-9037 available by request