V014-3289 Screening compound: 1-[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}pyridin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl acetate

V014-3289 Screening compound: 1-[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}pyridin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl acetate
V014-3289 Screening compound: 1-[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}pyridin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-3289
1-[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}pyridin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl acetate

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

V014-3289

Molecular Formula

C25H32N4O6 (C25 H32 N4 O6)

Compound Name

1-[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}pyridin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl acetate

IUPAC name

(2S)-1-[4-(3-{[2-(34-dimethoxyphenyl)ethyl]carbamoyl}pyridin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl acetate

SMILES

C[C@@H](C(N(CC1)CCN1c(nccc1)c1C(NCCc(cc1)cc(OC)c1OC)=O)=O)OC(C)=O

InChI

InChI=1S/C25H32N4O6/c1-17(35-18(2)30)25(32)29-14-12-28(13-15-29)23-20(6-5-10-26-23)24(31)27-11-9-19-7-8-21(33-3)22(16-19)34-4/h5-8,10,16-17H,9,11-15H2,1-4H3,(H,27,31)/t17-/m0/s1

InChI Key

QAOWXFIPOLRWLF-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

484.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.408

Distribution Coefficient, logD

1.408

Water Solubility, LogSw

-2.10

Polar Surface Area

89.436

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

V014-3289 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 V014-3289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-3289?
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What is the minimum amount of V014-3289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-3289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-3289
  • 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 V014-3289 available by request