V018-0975 Screening compound: 2-[1-(4-chlorophenyl)-N-ethylformamido]-N-cyclohexyl-N-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)acetamide

V018-0975 Screening compound: 2-[1-(4-chlorophenyl)-N-ethylformamido]-N-cyclohexyl-N-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)acetamide
V018-0975 Screening compound: 2-[1-(4-chlorophenyl)-N-ethylformamido]-N-cyclohexyl-N-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-0975
2-[1-(4-chlorophenyl)-N-ethylformamido]-N-cyclohexyl-N-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)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

V018-0975

Molecular Formula

C29H33ClFN3O2 (C29 H33 ClFN3 O2)

Compound Name

2-[1-(4-chlorophenyl)-N-ethylformamido]-N-cyclohexyl-N-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)acetamide

IUPAC name

2-[1-(4-chlorophenyl)-N-ethylformamido]-N-cyclohexyl-N-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)acetamide

SMILES

CCN(CC(N(Cc1cccn1Cc(cc1)ccc1F)C1CCCCC1)=O)C(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C29H33ClFN3O2/c1-2-32(29(36)23-12-14-24(30)15-13-23)21-28(35)34(26-7-4-3-5-8-26)20-27-9-6-18-33(27)19-22-10-16-25(31)17-11-22/h6,9-18,26H,2-5,7-8,19-21H2,1H3

InChI Key

LFDNWIZMVIQKMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19734066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.05

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.678

Distribution Coefficient, logD

5.678

Water Solubility, LogSw

-5.96

Polar Surface Area

33.173

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

V018-0975 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 V018-0975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-0975?
Check Price and Availability of V018-0975, 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 V018-0975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-0975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-0975
  • 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 V018-0975 available by request