V003-1127 Screening compound: 4-chloro-N-(cyclopropylmethyl)-N-{[5-(3-fluorophenoxy)-1-phenyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methyl}benzamide

V003-1127 Screening compound: 4-chloro-N-(cyclopropylmethyl)-N-{[5-(3-fluorophenoxy)-1-phenyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methyl}benzamide
V003-1127 Screening compound: 4-chloro-N-(cyclopropylmethyl)-N-{[5-(3-fluorophenoxy)-1-phenyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-1127
4-chloro-N-(cyclopropylmethyl)-N-{[5-(3-fluorophenoxy)-1-phenyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methyl}benzamide

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

V003-1127

Molecular Formula

C30H29ClFN3O2 (C30 H29 ClFN3 O2)

Compound Name

4-chloro-N-(cyclopropylmethyl)-N-{[5-(3-fluorophenoxy)-1-phenyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methyl}benzamide

IUPAC name

4-chloro-N-(cyclopropylmethyl)-N-{[5-(3-fluorophenoxy)-1-phenyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methyl}benzamide

SMILES

CC(C)c(c(CN(CC1CC1)C(c(cc1)ccc1Cl)=O)c1Oc2cc(F)ccc2)nn1-c1ccccc1

InChI

InChI=1S/C30H29ClFN3O2/c1-20(2)28-27(19-34(18-21-11-12-21)29(36)22-13-15-23(31)16-14-22)30(37-26-10-6-7-24(32)17-26)35(33-28)25-8-4-3-5-9-25/h3-10,13-17,20-21H,11-12,18-19H2,1-2H3

InChI Key

IXMLUTOAVQFCJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19806844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.03

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.650

Distribution Coefficient, logD

7.650

Water Solubility, LogSw

-6.45

Polar Surface Area

37.576

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

V003-1127 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V003-1127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-1127?
Check Price and Availability of V003-1127, 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 V003-1127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-1127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-1127
  • 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 V003-1127 available by request