V013-7628 Screening compound: ethyl 1-(4-{[(3,4-difluorobenzyl)amino]carbonyl}phenyl)-5-isopropyl-1H-pyrazole-3-carboxylate

V013-7628 Screening compound: ethyl 1-(4-{[(3,4-difluorobenzyl)amino]carbonyl}phenyl)-5-isopropyl-1H-pyrazole-3-carboxylate
V013-7628 Screening compound: ethyl 1-(4-{[(3,4-difluorobenzyl)amino]carbonyl}phenyl)-5-isopropyl-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-7628
ethyl 1-(4-{[(3,4-difluorobenzyl)amino]carbonyl}phenyl)-5-isopropyl-1H-pyrazole-3-carboxylate

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

V013-7628

Molecular Formula

C23H23F2N3O3 (C23 H23 F2 N3 O3)

Compound Name

ethyl 1-(4-{[(3,4-difluorobenzyl)amino]carbonyl}phenyl)-5-isopropyl-1H-pyrazole-3-carboxylate

IUPAC name

n/a

SMILES

CCOC(c(cc1C(C)C)nn1-c(cc1)ccc1C(NCc(cc1)cc(F)c1F)=O)=O

InChI

InChI=1S/C23H23F2N3O3/c1-4-31-23(30)20-12-21(14(2)3)28(27-20)17-8-6-16(7-9-17)22(29)26-13-15-5-10-18(24)19(25)11-15/h5-12,14H,4,13H2,1-3H3,(H,26,29)

InChI Key

TUQIOGOQAPKJKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19944061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.292

Distribution Coefficient, logD

4.292

Water Solubility, LogSw

-4.19

Polar Surface Area

58.500

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

V013-7628 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V013-7628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-7628?
Check Price and Availability of V013-7628, 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 V013-7628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-7628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-7628
  • 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 V013-7628 available by request