Y508-9912 Screening compound: 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-N~1~-[6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylpropanamide

Y508-9912 Screening compound: 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-N~1~-[6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylpropanamide
Y508-9912 Screening compound: 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-N~1~-[6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-9912
3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-N~1~-[6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylpropanamide

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

Y508-9912

Molecular Formula

C22H29BrN4OS (C22 H29 BrN4 OS)

Compound Name

3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-N~1~-[6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylpropanamide

IUPAC name

n/a

SMILES

CC(Cn1nc(C)c(Br)c1C)C(Nc(sc(C1)c2CCC1C(C)(C)C)c2C#N)=O

InChI

InChI=1S/C22H29BrN4OS/c1-12(11-27-14(3)19(23)13(2)26-27)20(28)25-21-17(10-24)16-8-7-15(22(4,5)6)9-18(16)29-21/h12,15H,7-9,11H2,1-6H3,(H,25,28)

InChI Key

ZRORQEDCVXIJDY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.027

Distribution Coefficient, logD

3.267

Water Solubility, LogSw

-4.62

Polar Surface Area

54.654

Acid Dissociation Constant (pKa)

5.65

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

59.10

References: we are preparing a list of scientific research reports with Y508-9912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-9912?
Check Price and Availability of Y508-9912, 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 Y508-9912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-9912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-9912
  • 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 Y508-9912 available by request