V013-2575 Screening compound: ethyl 4-{[({[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-chromen-3-yl)methyl]carbamoyl}methyl)(butyl)carbamoyl]amino}benzoate

V013-2575 Screening compound: ethyl 4-{[({[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-chromen-3-yl)methyl]carbamoyl}methyl)(butyl)carbamoyl]amino}benzoate
V013-2575 Screening compound: ethyl 4-{[({[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-chromen-3-yl)methyl]carbamoyl}methyl)(butyl)carbamoyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-2575
ethyl 4-{[({[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-chromen-3-yl)methyl]carbamoyl}methyl)(butyl)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

V013-2575

Molecular Formula

C34H34ClN3O8 (C34 H34 ClN3 O8)

Compound Name

ethyl 4-{[({[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-chromen-3-yl)methyl]carbamoyl}methyl)(butyl)carbamoyl]amino}benzoate

IUPAC name

ethyl 4-{[({[(2H-13-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-chromen-3-yl)methyl]carbamoyl}methyl)(butyl)carbamoyl]amino}benzoate

SMILES

CCCCN(CC(N(Cc(cc1)cc2c1OCO2)CC1=COc(ccc(Cl)c2)c2C1=O)=O)C(Nc(cc1)ccc1C(OCC)=O)=O

InChI

InChI=1S/C34H34ClN3O8/c1-3-5-14-37(34(42)36-26-10-7-23(8-11-26)33(41)43-4-2)19-31(39)38(17-22-6-12-29-30(15-22)46-21-45-29)18-24-20-44-28-13-9-25(35)16-27(28)32(24)40/h6-13,15-16,20H,3-5,14,17-19,21H2,1-2H3,(H,36,42)

InChI Key

FLCPNFWCSVVTDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19770306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

648.11

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.033

Distribution Coefficient, logD

6.033

Water Solubility, LogSw

-6.01

Polar Surface Area

99.695

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with V013-2575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-2575?
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What is the minimum amount of V013-2575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-2575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-2575
  • 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 V013-2575 available by request