V001-7593 Screening compound: N-({[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}methyl)-3-chloro-2,2-dimethyl-N-(2-phenylethyl)propanamide

V001-7593 Screening compound: N-({[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}methyl)-3-chloro-2,2-dimethyl-N-(2-phenylethyl)propanamide
V001-7593 Screening compound: N-({[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}methyl)-3-chloro-2,2-dimethyl-N-(2-phenylethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-7593
N-({[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}methyl)-3-chloro-2,2-dimethyl-N-(2-phenylethyl)propanamide

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

V001-7593

Molecular Formula

C29H37ClN4O2 (C29 H37 ClN4 O2)

Compound Name

N-({[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}methyl)-3-chloro-2,2-dimethyl-N-(2-phenylethyl)propanamide

IUPAC name

N-({[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}methyl)-3-chloro-22-dimethyl-N-(2-phenylethyl)propanamide

SMILES

CC(C)(C)c(cc1NC(CN(CCc2ccccc2)C(C(C)(C)CCl)=O)=O)nn1-c1c(C)cccc1

InChI

InChI=1S/C29H37ClN4O2/c1-21-12-10-11-15-23(21)34-25(18-24(32-34)28(2,3)4)31-26(35)19-33(27(36)29(5,6)20-30)17-16-22-13-8-7-9-14-22/h7-15,18H,16-17,19-20H2,1-6H3,(H,31,35)

InChI Key

HYNRWAWNQIXBKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19716985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.09

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.573

Distribution Coefficient, logD

6.572

Water Solubility, LogSw

-5.67

Polar Surface Area

53.711

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

V001-7593 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V001-7593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-7593?
Check Price and Availability of V001-7593, 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 V001-7593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-7593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-7593
  • 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 V001-7593 available by request