V020-9718 Screening compound: 1-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-3-ethyl-1-[2-(morpholin-4-yl)ethyl]thiourea

V020-9718 Screening compound: 1-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-3-ethyl-1-[2-(morpholin-4-yl)ethyl]thiourea
V020-9718 Screening compound: 1-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-3-ethyl-1-[2-(morpholin-4-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-9718
1-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-3-ethyl-1-[2-(morpholin-4-yl)ethyl]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

V020-9718

Molecular Formula

C23H34ClN5O3S2 (C23 H34 ClN5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCNC(N(CCN1CCOCC1)Cc(n1C(C)C)cnc1S(Cc1cccc(Cl)c1)(=O)=O)=S

InChI

InChI=1S/C23H34ClN5O3S2/c1-4-25-22(33)28(9-8-27-10-12-32-13-11-27)16-21-15-26-23(29(21)18(2)3)34(30,31)17-19-6-5-7-20(24)14-19/h5-7,14-15,18H,4,8-13,16-17H2,1-3H3,(H,25,33)

InChI Key

SUKFQBIVIBASHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19820540

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

528.14

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.913

Distribution Coefficient, logD

1.882

Water Solubility, LogSw

-3.49

Polar Surface Area

65.277

Acid Dissociation Constant (pKa)

17.87

Base Dissociation Constant (pKb)

8.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

V020-9718 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V020-9718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-9718?
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What is the minimum amount of V020-9718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-9718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-9718
  • 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 V020-9718 available by request