8015-9705 Screening compound: 2-{[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl}-N~1~-(2,4-dichlorophenyl)acetamide

8015-9705 Screening compound: 2-{[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl}-N~1~-(2,4-dichlorophenyl)acetamide
8015-9705 Screening compound: 2-{[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl}-N~1~-(2,4-dichlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-9705
2-{[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl}-N~1~-(2,4-dichlorophenyl)acetamide

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

8015-9705

Molecular Formula

C25H24Cl2N2O2S (C25 H24 Cl2 N2 O2 S)

Compound Name

2-{[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl}-N~1~-(2,4-dichlorophenyl)acetamide

IUPAC name

2-{[5-(adamantan-1-yl)-13-benzoxazol-2-yl]sulfanyl}-N-(24-dichlorophenyl)acetamide

SMILES

O=C(CSc1nc(cc(C2(CC(C3)C4)CC4CC3C2)cc2)c2o1)Nc(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C25H24Cl2N2O2S/c26-18-2-3-20(19(27)9-18)28-23(30)13-32-24-29-21-8-17(1-4-22(21)31-24)25-10-14-5-15(11-25)7-16(6-14)12-25/h1-4,8-9,14-16H,5-7,10-13H2,(H,28,30)

InChI Key

GJSGMWGVPLFOHN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.646

Distribution Coefficient, logD

7.638

Water Solubility, LogSw

-6.75

Polar Surface Area

38.844

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

8015-9705 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8015-9705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-9705?
Check Price and Availability of 8015-9705, 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 8015-9705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-9705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-9705
  • 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 8015-9705 available by request