V029-4605 Screening compound: propan-2-yl 2-[(4-{[(2-methylpropyl)[(propan-2-yl)carbamoyl]amino]methyl}phenoxy)sulfonyl]benzoate

V029-4605 Screening compound: propan-2-yl 2-[(4-{[(2-methylpropyl)[(propan-2-yl)carbamoyl]amino]methyl}phenoxy)sulfonyl]benzoate
V029-4605 Screening compound: propan-2-yl 2-[(4-{[(2-methylpropyl)[(propan-2-yl)carbamoyl]amino]methyl}phenoxy)sulfonyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-4605
propan-2-yl 2-[(4-{[(2-methylpropyl)[(propan-2-yl)carbamoyl]amino]methyl}phenoxy)sulfonyl]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

V029-4605

Molecular Formula

C25H34N2O6S (C25 H34 N2 O6 S)

Compound Name

propan-2-yl 2-[(4-{[(2-methylpropyl)[(propan-2-yl)carbamoyl]amino]methyl}phenoxy)sulfonyl]benzoate

IUPAC name

propan-2-yl 2-[(4-{[(2-methylpropyl)[(propan-2-yl)carbamoyl]amino]methyl}phenoxy)sulfonyl]benzoate

SMILES

CC(C)CN(Cc(cc1)ccc1OS(c(cccc1)c1C(OC(C)C)=O)(=O)=O)C(NC(C)C)=O

InChI

InChI=1S/C25H34N2O6S/c1-17(2)15-27(25(29)26-18(3)4)16-20-11-13-21(14-12-20)33-34(30,31)23-10-8-7-9-22(23)24(28)32-19(5)6/h7-14,17-19H,15-16H2,1-6H3,(H,26,29)

InChI Key

DVEDHNRXTIKKQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.812

Distribution Coefficient, logD

4.812

Water Solubility, LogSw

-4.48

Polar Surface Area

82.032

Acid Dissociation Constant (pKa)

17.08

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

V029-4605 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V029-4605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-4605?
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What is the minimum amount of V029-4605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-4605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-4605
  • 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 V029-4605 available by request