V004-1229 Screening compound: N-{3-[5-(3,4-dichlorophenyl)-3-(propan-2-yloxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-methylbutanamide

V004-1229 Screening compound: N-{3-[5-(3,4-dichlorophenyl)-3-(propan-2-yloxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-methylbutanamide
V004-1229 Screening compound: N-{3-[5-(3,4-dichlorophenyl)-3-(propan-2-yloxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-1229
N-{3-[5-(3,4-dichlorophenyl)-3-(propan-2-yloxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-methylbutanamide

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

V004-1229

Molecular Formula

C22H24Cl2N4O2 (C22 H24 Cl2 N4 O2)

Compound Name

N-{3-[5-(3,4-dichlorophenyl)-3-(propan-2-yloxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-methylbutanamide

IUPAC name

N-{3-[5-(34-dichlorophenyl)-3-(propan-2-yloxy)-1H-124-triazol-1-yl]phenyl}-3-methylbutanamide

SMILES

CC(C)CC(Nc1cccc(-n(c(-c(cc2)cc(Cl)c2Cl)n2)nc2OC(C)C)c1)=O

InChI

InChI=1S/C22H24Cl2N4O2/c1-13(2)10-20(29)25-16-6-5-7-17(12-16)28-21(26-22(27-28)30-14(3)4)15-8-9-18(23)19(24)11-15/h5-9,11-14H,10H2,1-4H3,(H,25,29)

InChI Key

PLXHGMMCNRKONG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19793654

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

447.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.775

Distribution Coefficient, logD

6.775

Water Solubility, LogSw

-6.53

Polar Surface Area

53.642

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

V004-1229 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V004-1229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-1229?
Check Price and Availability of V004-1229, 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 V004-1229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-1229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-1229
  • 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 V004-1229 available by request