V031-1983 Screening compound: propan-2-yl 2-[(3-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenoxy)sulfonyl]benzoate

V031-1983 Screening compound: propan-2-yl 2-[(3-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenoxy)sulfonyl]benzoate
V031-1983 Screening compound: propan-2-yl 2-[(3-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenoxy)sulfonyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1983
propan-2-yl 2-[(3-{[3-methyl-N-(propan-2-yl)butanamido]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

V031-1983

Molecular Formula

C25H33NO6S (C25 H33 NO6 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H33NO6S/c1-17(2)14-24(27)26(18(3)4)16-20-10-9-11-21(15-20)32-33(29,30)23-13-8-7-12-22(23)25(28)31-19(5)6/h7-13,15,17-19H,14,16H2,1-6H3

InChI Key

XQZIRUJZUABKDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.813

Distribution Coefficient, logD

4.813

Water Solubility, LogSw

-4.60

Polar Surface Area

72.132

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

V031-1983 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V031-1983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1983?
Check Price and Availability of V031-1983, 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 V031-1983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1983
  • 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 V031-1983 available by request