V020-9706 Screening compound: 1-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-1-[2-(morpholin-4-yl)ethyl]-3-(propan-2-yl)urea

V020-9706 Screening compound: 1-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-1-[2-(morpholin-4-yl)ethyl]-3-(propan-2-yl)urea
V020-9706 Screening compound: 1-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-1-[2-(morpholin-4-yl)ethyl]-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-9706
1-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-1-[2-(morpholin-4-yl)ethyl]-3-(propan-2-yl)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

V020-9706

Molecular Formula

C24H36ClN5O4S (C24 H36 ClN5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(N(CCN1CCOCC1)Cc(n1C(C)C)cnc1S(Cc1cccc(Cl)c1)(=O)=O)=O

InChI

InChI=1S/C24H36ClN5O4S/c1-18(2)27-23(31)29(9-8-28-10-12-34-13-11-28)16-22-15-26-24(30(22)19(3)4)35(32,33)17-20-6-5-7-21(25)14-20/h5-7,14-15,18-19H,8-13,16-17H2,1-4H3,(H,27,31)

InChI Key

BENFACPVYAIPSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19821249

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

526.1

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.914

Distribution Coefficient, logD

2.066

Water Solubility, LogSw

-3.55

Polar Surface Area

79.196

Acid Dissociation Constant (pKa)

17.05

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

V020-9706 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V020-9706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-9706?
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What is the minimum amount of V020-9706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-9706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-9706
  • 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 V020-9706 available by request