V030-4097 Screening compound: 3-butyl-3-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-1-[4-(propan-2-yl)phenyl]urea

V030-4097 Screening compound: 3-butyl-3-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-1-[4-(propan-2-yl)phenyl]urea
V030-4097 Screening compound: 3-butyl-3-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-1-[4-(propan-2-yl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-4097
3-butyl-3-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-1-[4-(propan-2-yl)phenyl]urea

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

V030-4097

Molecular Formula

C24H29ClN4O2 (C24 H29 ClN4 O2)

Compound Name

3-butyl-3-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-1-[4-(propan-2-yl)phenyl]urea

IUPAC name

3-butyl-3-{2-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]ethyl}-1-[4-(propan-2-yl)phenyl]urea

SMILES

CCCCN(CCc1nc(-c(cc2)ccc2Cl)no1)C(Nc1ccc(C(C)C)cc1)=O

InChI

InChI=1S/C24H29ClN4O2/c1-4-5-15-29(24(30)26-21-12-8-18(9-13-21)17(2)3)16-14-22-27-23(28-31-22)19-6-10-20(25)11-7-19/h6-13,17H,4-5,14-16H2,1-3H3,(H,26,30)

InChI Key

ACVJQFAYFFCUHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20493696

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

440.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.033

Distribution Coefficient, logD

7.033

Water Solubility, LogSw

-6.55

Polar Surface Area

56.570

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

V030-4097 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 V030-4097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-4097?
Check Price and Availability of V030-4097, 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 V030-4097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-4097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-4097
  • 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 V030-4097 available by request