V007-4777 Screening compound: ethyl 2-{[5-cyclohexyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

V007-4777 Screening compound: ethyl 2-{[5-cyclohexyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
V007-4777 Screening compound: ethyl 2-{[5-cyclohexyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-4777
ethyl 2-{[5-cyclohexyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

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

V007-4777

Molecular Formula

C19H23Cl2N3O2S (C19 H23 Cl2 N3 O2 S)

Compound Name

ethyl 2-{[5-cyclohexyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

IUPAC name

ethyl 2-{[5-cyclohexyl-4-(34-dichlorophenyl)-4H-124-triazol-3-yl]sulfanyl}propanoate

SMILES

CCOC(C(C)Sc1nnc(C2CCCCC2)n1-c(cc1)cc(Cl)c1Cl)=O

InChI

InChI=1S/C19H23Cl2N3O2S/c1-3-26-18(25)12(2)27-19-23-22-17(13-7-5-4-6-8-13)24(19)14-9-10-15(20)16(21)11-14/h9-13H,3-8H2,1-2H3/t12-/m0/s1

InChI Key

GQRKKDCGZNOSNF-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD19843330

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

428.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.084

Distribution Coefficient, logD

6.084

Water Solubility, LogSw

-6.11

Polar Surface Area

45.930

Acid Dissociation Constant (pKa)

17.60

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.60

V007-4777 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V007-4777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-4777?
Check Price and Availability of V007-4777, 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 V007-4777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-4777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-4777
  • 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 V007-4777 available by request