V020-9704 Screening compound: 3-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-1-(4-fluorophenyl)-3-(prop-2-en-1-yl)thiourea

V020-9704 Screening compound: 3-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-1-(4-fluorophenyl)-3-(prop-2-en-1-yl)thiourea
V020-9704 Screening compound: 3-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-1-(4-fluorophenyl)-3-(prop-2-en-1-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-9704
3-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-1-(4-fluorophenyl)-3-(prop-2-en-1-yl)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

V020-9704

Molecular Formula

C24H26ClFN4O2S2 (C24 H26 ClFN4 O2 S2)

Compound Name

3-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-1-(4-fluorophenyl)-3-(prop-2-en-1-yl)thiourea

IUPAC name

3-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-1-(4-fluorophenyl)-3-(prop-2-en-1-yl)thiourea

SMILES

CC(C)n1c(S(Cc2cccc(Cl)c2)(=O)=O)ncc1CN(CC=C)C(Nc(cc1)ccc1F)=S

InChI

InChI=1S/C24H26ClFN4O2S2/c1-4-12-29(23(33)28-21-10-8-20(26)9-11-21)15-22-14-27-24(30(22)17(2)3)34(31,32)16-18-6-5-7-19(25)13-18/h4-11,13-14,17H,1,12,15-16H2,2-3H3,(H,28,33)

InChI Key

TWYNIVBBALBSNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19820535

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

521.08

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.350

Distribution Coefficient, logD

5.350

Water Solubility, LogSw

-5.90

Polar Surface Area

52.438

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V020-9704 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V020-9704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-9704?
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What is the minimum amount of V020-9704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-9704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-9704
  • 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 V020-9704 available by request