V030-7733 Screening compound: 1-{1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl}-3-(4-fluorophenyl)thiourea

V030-7733 Screening compound: 1-{1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl}-3-(4-fluorophenyl)thiourea
V030-7733 Screening compound: 1-{1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl}-3-(4-fluorophenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-7733
1-{1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl}-3-(4-fluorophenyl)thiourea

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

V030-7733

Molecular Formula

C28H36FN5OS (C28 H36 FN5 OS)

Compound Name

1-{1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl}-3-(4-fluorophenyl)thiourea

IUPAC name

1-{1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl}-3-(4-fluorophenyl)thiourea

SMILES

O=C(c(cccc1)c1N(CC1)CCC1NC(Nc(cc1)ccc1F)=S)N(CC1)CCN1C1CCCC1

InChI

InChI=1S/C28H36FN5OS/c29-21-9-11-22(12-10-21)30-28(36)31-23-13-15-33(16-14-23)26-8-4-3-7-25(26)27(35)34-19-17-32(18-20-34)24-5-1-2-6-24/h3-4,7-12,23-24H,1-2,5-6,13-20H2,(H2,30,31,36)

InChI Key

SDVNJJOALVOVGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19894913

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

509.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.200

Distribution Coefficient, logD

3.941

Water Solubility, LogSw

-4.32

Polar Surface Area

43.175

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

7.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V030-7733 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 V030-7733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-7733?
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What is the minimum amount of V030-7733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-7733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-7733
  • 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 V030-7733 available by request