4576-0166 Screening compound: 8-BUTYL-13-CHLORO-4,4-DIMETHYL-5-OXA-11-THIA-9,14,16-TRIAZATETRACYCLO[8.7.0.0^(2,7).0^(12,17)]HEPTADECA-1(10),2(7),8,12(17),13,15-HEXAENE

4576-0166 Screening compound: 8-BUTYL-13-CHLORO-4,4-DIMETHYL-5-OXA-11-THIA-9,14,16-TRIAZATETRACYCLO[8.7.0.0^(2,7).0^(12,17)]HEPTADECA-1(10),2(7),8,12(17),13,15-HEXAENE
4576-0166 Screening compound: 8-BUTYL-13-CHLORO-4,4-DIMETHYL-5-OXA-11-THIA-9,14,16-TRIAZATETRACYCLO[8.7.0.0^(2,7).0^(12,17)]HEPTADECA-1(10),2(7),8,12(17),13,15-HEXAENE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4576-0166
8-BUTYL-13-CHLORO-4,4-DIMETHYL-5-OXA-11-THIA-9,14,16-TRIAZATETRACYCLO[8.7.0.0^(2,7).0^(12,17)]HEPTADECA-1(10),2(7),8,12(17),13,15-HEXAENE

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

4576-0166

Molecular Formula

C18H20ClN3OS (C18 H20 ClN3 OS)

Compound Name

8-BUTYL-13-CHLORO-4,4-DIMETHYL-5-OXA-11-THIA-9,14,16-TRIAZATETRACYCLO[8.7.0.0^(2,7).0^(12,17)]HEPTADECA-1(10),2(7),8,12(17),13,15-HEXAENE

IUPAC name

n/a

SMILES

CCCCc1nc(sc2c3ncnc2Cl)c3c2c1COC(C)(C)C2

InChI

InChI=1S/C18H20ClN3OS/c1-4-5-6-12-11-8-23-18(2,3)7-10(11)13-14-15(24-17(13)22-12)16(19)21-9-20-14/h9H,4-8H2,1-3H3

InChI Key

ZDEBKRKWFFJZST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01565685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.551

Distribution Coefficient, logD

5.551

Water Solubility, LogSw

-5.88

Polar Surface Area

39.775

Acid Dissociation Constant (pKa)

21.86

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

4576-0166 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4576-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4576-0166?
Check Price and Availability of 4576-0166, 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 4576-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4576-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4576-0166
  • 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 4576-0166 available by request