V029-9616 Screening compound: propan-2-yl 2-[(4-{[N-(propan-2-yl)acetamido]methyl}phenoxy)sulfonyl]benzoate

V029-9616 Screening compound: propan-2-yl 2-[(4-{[N-(propan-2-yl)acetamido]methyl}phenoxy)sulfonyl]benzoate
V029-9616 Screening compound: propan-2-yl 2-[(4-{[N-(propan-2-yl)acetamido]methyl}phenoxy)sulfonyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-9616
propan-2-yl 2-[(4-{[N-(propan-2-yl)acetamido]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

V029-9616

Molecular Formula

C22H27NO6S (C22 H27 NO6 S)

Compound Name

propan-2-yl 2-[(4-{[N-(propan-2-yl)acetamido]methyl}phenoxy)sulfonyl]benzoate

IUPAC name

propan-2-yl 2-[(4-{[N-(propan-2-yl)acetamido]methyl}phenoxy)sulfonyl]benzoate

SMILES

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

InChI

InChI=1S/C22H27NO6S/c1-15(2)23(17(5)24)14-18-10-12-19(13-11-18)29-30(26,27)21-9-7-6-8-20(21)22(25)28-16(3)4/h6-13,15-16H,14H2,1-5H3

InChI Key

LYUPBMMWZCYVNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.335

Distribution Coefficient, logD

3.335

Water Solubility, LogSw

-3.71

Polar Surface Area

73.127

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

References: we are preparing a list of scientific research reports with V029-9616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-9616?
Check Price and Availability of V029-9616, 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 V029-9616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-9616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-9616
  • 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 V029-9616 available by request