Y510-4399 Screening compound: N~1~-[3-({2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl}amino)phenyl]-1-adamantanecarboxamide

Y510-4399 Screening compound: N~1~-[3-({2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl}amino)phenyl]-1-adamantanecarboxamide
Y510-4399 Screening compound: N~1~-[3-({2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl}amino)phenyl]-1-adamantanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y510-4399
N~1~-[3-({2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl}amino)phenyl]-1-adamantanecarboxamide

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

Y510-4399

Molecular Formula

C28H31N3O3S2 (C28 H31 N3 O3 S2)

Compound Name

N~1~-[3-({2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl}amino)phenyl]-1-adamantanecarboxamide

IUPAC name

n/a

SMILES

CCOc(cc1)cc2c1nc(SCC(Nc1cc(NC(C3(CC(C4)C5)CC5CC4C3)=O)ccc1)=O)s2

InChI

InChI=1S/C28H31N3O3S2/c1-2-34-22-6-7-23-24(12-22)36-27(31-23)35-16-25(32)29-20-4-3-5-21(11-20)30-26(33)28-13-17-8-18(14-28)10-19(9-17)15-28/h3-7,11-12,17-19H,2,8-10,13-16H2,1H3,(H,29,32)(H,30,33)

InChI Key

BSRKLIXUTFJHQS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.7

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.164

Distribution Coefficient, logD

7.164

Water Solubility, LogSw

-5.66

Polar Surface Area

62.446

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.40

References: we are preparing a list of scientific research reports with Y510-4399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y510-4399?
Check Price and Availability of Y510-4399, 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 Y510-4399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y510-4399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y510-4399
  • 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 Y510-4399 available by request