V012-8325 Screening compound: ethyl 4-{[({[(4-fluorophenyl)methyl][(4-oxo-4H-chromen-3-yl)methyl]carbamoyl}methyl)(2-methylpropyl)carbamoyl]amino}benzoate

V012-8325 Screening compound: ethyl 4-{[({[(4-fluorophenyl)methyl][(4-oxo-4H-chromen-3-yl)methyl]carbamoyl}methyl)(2-methylpropyl)carbamoyl]amino}benzoate
V012-8325 Screening compound: ethyl 4-{[({[(4-fluorophenyl)methyl][(4-oxo-4H-chromen-3-yl)methyl]carbamoyl}methyl)(2-methylpropyl)carbamoyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-8325
ethyl 4-{[({[(4-fluorophenyl)methyl][(4-oxo-4H-chromen-3-yl)methyl]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

V012-8325

Molecular Formula

C33H34FN3O6 (C33 H34 FN3 O6)

Compound Name

ethyl 4-{[({[(4-fluorophenyl)methyl][(4-oxo-4H-chromen-3-yl)methyl]carbamoyl}methyl)(2-methylpropyl)carbamoyl]amino}benzoate

IUPAC name

ethyl 4-{[({[(4-fluorophenyl)methyl][(4-oxo-4H-chromen-3-yl)methyl]carbamoyl}methyl)(2-methylpropyl)carbamoyl]amino}benzoate

SMILES

CCOC(c(cc1)ccc1NC(N(CC(C)C)CC(N(Cc(cc1)ccc1F)CC1=COc(cccc2)c2C1=O)=O)=O)=O

InChI

InChI=1S/C33H34FN3O6/c1-4-42-32(40)24-11-15-27(16-12-24)35-33(41)37(17-22(2)3)20-30(38)36(18-23-9-13-26(34)14-10-23)19-25-21-43-29-8-6-5-7-28(29)31(25)39/h5-16,21-22H,4,17-20H2,1-3H3,(H,35,41)

InChI Key

AQODHRYNEKTNID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19769670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

587.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.435

Distribution Coefficient, logD

5.435

Water Solubility, LogSw

-5.38

Polar Surface Area

82.601

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with V012-8325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-8325?
Check Price and Availability of V012-8325, 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 V012-8325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-8325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-8325
  • 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 V012-8325 available by request