V027-0468 Screening compound: 5-({1-cyclobutyl-N-[(oxolan-2-yl)methyl]formamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate

V027-0468 Screening compound: 5-({1-cyclobutyl-N-[(oxolan-2-yl)methyl]formamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
V027-0468 Screening compound: 5-({1-cyclobutyl-N-[(oxolan-2-yl)methyl]formamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-0468
5-({1-cyclobutyl-N-[(oxolan-2-yl)methyl]formamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate

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

V027-0468

Molecular Formula

C26H32N2O7S (C26 H32 N2 O7 S)

Compound Name

5-({1-cyclobutyl-N-[(oxolan-2-yl)methyl]formamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate

IUPAC name

5-({1-cyclobutyl-N-[(oxolan-2-yl)methyl]formamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate

SMILES

CC(Nc(cc1)ccc1S(Oc(cc(CN(CC1OCCC1)C(C1CCC1)=O)cc1)c1OC)(=O)=O)=O

InChI

InChI=1S/C26H32N2O7S/c1-18(29)27-21-9-11-23(12-10-21)36(31,32)35-25-15-19(8-13-24(25)33-2)16-28(17-22-7-4-14-34-22)26(30)20-5-3-6-20/h8-13,15,20,22H,3-7,14,16-17H2,1-2H3,(H,27,29)/t22-/m1/s1

InChI Key

UNGVPVCYEVUDKL-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19787793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.953

Distribution Coefficient, logD

1.953

Water Solubility, LogSw

-2.91

Polar Surface Area

92.096

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

V027-0468 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V027-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-0468?
Check Price and Availability of V027-0468, 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 V027-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-0468
  • 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 V027-0468 available by request