V031-1947 Screening compound: propan-2-yl 2-[(3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenoxy)sulfonyl]benzoate

V031-1947 Screening compound: propan-2-yl 2-[(3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenoxy)sulfonyl]benzoate
V031-1947 Screening compound: propan-2-yl 2-[(3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenoxy)sulfonyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1947
propan-2-yl 2-[(3-{[2-methyl-N-(propan-2-yl)propanamido]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

V031-1947

Molecular Formula

C24H31NO6S (C24 H31 NO6 S)

Compound Name

propan-2-yl 2-[(3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenoxy)sulfonyl]benzoate

IUPAC name

propan-2-yl 2-[(3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenoxy)sulfonyl]benzoate

SMILES

CC(C)C(N(Cc1cccc(OS(c(cccc2)c2C(OC(C)C)=O)(=O)=O)c1)C(C)C)=O

InChI

InChI=1S/C24H31NO6S/c1-16(2)23(26)25(17(3)4)15-19-10-9-11-20(14-19)31-32(28,29)22-13-8-7-12-21(22)24(27)30-18(5)6/h7-14,16-18H,15H2,1-6H3

InChI Key

UHTVVADUMXNECP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.411

Distribution Coefficient, logD

4.411

Water Solubility, LogSw

-4.36

Polar Surface Area

72.659

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

V031-1947 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 V031-1947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1947?
Check Price and Availability of V031-1947, 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 V031-1947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1947
  • 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 V031-1947 available by request