V009-9943 Screening compound: METHYL 3-[(4-{2-[(4-CYANOPHENYL)METHOXY]-2-(3-METHOXYPHENYL)ETHYL}PIPERAZINE-1-CARBONYL)AMINO]-2-METHYLBENZOATE

V009-9943 Screening compound: METHYL 3-[(4-{2-[(4-CYANOPHENYL)METHOXY]-2-(3-METHOXYPHENYL)ETHYL}PIPERAZINE-1-CARBONYL)AMINO]-2-METHYLBENZOATE
V009-9943 Screening compound: METHYL 3-[(4-{2-[(4-CYANOPHENYL)METHOXY]-2-(3-METHOXYPHENYL)ETHYL}PIPERAZINE-1-CARBONYL)AMINO]-2-METHYLBENZOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-9943
METHYL 3-[(4-{2-[(4-CYANOPHENYL)METHOXY]-2-(3-METHOXYPHENYL)ETHYL}PIPERAZINE-1-CARBONYL)AMINO]-2-METHYLBENZOATE

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

V009-9943

Molecular Formula

C31H34N4O5 (C31 H34 N4 O5)

Compound Name

METHYL 3-[(4-{2-[(4-CYANOPHENYL)METHOXY]-2-(3-METHOXYPHENYL)ETHYL}PIPERAZINE-1-CARBONYL)AMINO]-2-METHYLBENZOATE

IUPAC name

methyl 3-[(4-{2-[(4-cyanophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}piperazine-1-carbonyl)amino]-2-methylbenzoate

SMILES

Cc(c(C(OC)=O)ccc1)c1NC(N1CCN(CC(c2cc(OC)ccc2)OCc(cc2)ccc2C#N)CC1)=O

InChI

InChI=1S/C31H34N4O5/c1-22-27(30(36)39-3)8-5-9-28(22)33-31(37)35-16-14-34(15-17-35)20-29(25-6-4-7-26(18-25)38-2)40-21-24-12-10-23(19-32)11-13-24/h4-13,18,29H,14-17,20-21H2,1-3H3,(H,33,37)/t29-/m0/s1

InChI Key

XTGOKJGBFKVJCO-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD19961531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.347

Distribution Coefficient, logD

4.310

Water Solubility, LogSw

-4.27

Polar Surface Area

81.205

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

V009-9943 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V009-9943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-9943?
Check Price and Availability of V009-9943, 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 V009-9943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-9943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-9943
  • 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 V009-9943 available by request