V005-5994 Screening compound: 2-{1-cyclopentyl-N-[(4-fluorophenyl)methyl]formamido}-N-{4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl}acetamide

V005-5994 Screening compound: 2-{1-cyclopentyl-N-[(4-fluorophenyl)methyl]formamido}-N-{4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl}acetamide
V005-5994 Screening compound: 2-{1-cyclopentyl-N-[(4-fluorophenyl)methyl]formamido}-N-{4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-5994
2-{1-cyclopentyl-N-[(4-fluorophenyl)methyl]formamido}-N-{4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl}acetamide

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

V005-5994

Molecular Formula

C30H39FN4O3 (C30 H39 FN4 O3)

Compound Name

2-{1-cyclopentyl-N-[(4-fluorophenyl)methyl]formamido}-N-{4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl}acetamide

IUPAC name

2-{1-cyclopentyl-N-[(4-fluorophenyl)methyl]formamido}-N-{4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl}acetamide

SMILES

CC(C)CC(N(CC1)CCN1c(cc1)ccc1NC(CN(Cc(cc1)ccc1F)C(C1CCCC1)=O)=O)=O

InChI

InChI=1S/C30H39FN4O3/c1-22(2)19-29(37)34-17-15-33(16-18-34)27-13-11-26(12-14-27)32-28(36)21-35(30(38)24-5-3-4-6-24)20-23-7-9-25(31)10-8-23/h7-14,22,24H,3-6,15-21H2,1-2H3,(H,32,36)

InChI Key

WTKRQABGQLYPFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14256789

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

522.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.665

Distribution Coefficient, logD

4.665

Water Solubility, LogSw

-4.20

Polar Surface Area

59.538

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

6.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V005-5994 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V005-5994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-5994?
Check Price and Availability of V005-5994, 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 V005-5994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-5994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-5994
  • 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 V005-5994 available by request