V027-0993 Screening compound: ethyl 4-{[({[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]carbamoyl}methyl)(2-methylpropyl)carbamoyl]amino}benzoate

V027-0993 Screening compound: ethyl 4-{[({[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]carbamoyl}methyl)(2-methylpropyl)carbamoyl]amino}benzoate
V027-0993 Screening compound: ethyl 4-{[({[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]carbamoyl}methyl)(2-methylpropyl)carbamoyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-0993
ethyl 4-{[({[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]carbamoyl}methyl)(2-methylpropyl)carbamoyl]amino}benzoate

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

V027-0993

Molecular Formula

C31H41N5O4 (C31 H41 N5 O4)

Compound Name

ethyl 4-{[({[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]carbamoyl}methyl)(2-methylpropyl)carbamoyl]amino}benzoate

IUPAC name

ethyl 4-{[({[3-tert-butyl-1-(24-dimethylphenyl)-1H-pyrazol-5-yl]carbamoyl}methyl)(2-methylpropyl)carbamoyl]amino}benzoate

SMILES

CCOC(c(cc1)ccc1NC(N(CC(C)C)CC(Nc1cc(C(C)(C)C)nn1-c1c(C)cc(C)cc1)=O)=O)=O

InChI

InChI=1S/C31H41N5O4/c1-9-40-29(38)23-11-13-24(14-12-23)32-30(39)35(18-20(2)3)19-28(37)33-27-17-26(31(6,7)8)34-36(27)25-15-10-21(4)16-22(25)5/h10-17,20H,9,18-19H2,1-8H3,(H,32,39)(H,33,37)

InChI Key

CBJXMHKGHNQZNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19715128

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

547.7

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.514

Distribution Coefficient, logD

7.514

Water Solubility, LogSw

-5.53

Polar Surface Area

83.307

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

References: we are preparing a list of scientific research reports with V027-0993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-0993?
Check Price and Availability of V027-0993, 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 V027-0993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-0993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-0993
  • 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 V027-0993 available by request