V010-8719 Screening compound: 1-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1-[2-(dimethylamino)ethyl]-3-ethylthiourea

V010-8719 Screening compound: 1-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1-[2-(dimethylamino)ethyl]-3-ethylthiourea
V010-8719 Screening compound: 1-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1-[2-(dimethylamino)ethyl]-3-ethylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-8719
1-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1-[2-(dimethylamino)ethyl]-3-ethylthiourea

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

V010-8719

Molecular Formula

C25H32FN5O2S2 (C25 H32 FN5 O2 S2)

Compound Name

1-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1-[2-(dimethylamino)ethyl]-3-ethylthiourea

IUPAC name

1-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1-[2-(dimethylamino)ethyl]-3-ethylthiourea

SMILES

CCNC(N(CCN(C)C)Cc(n1Cc2ccccc2)cnc1S(Cc(cccc1)c1F)(=O)=O)=S

InChI

InChI=1S/C25H32FN5O2S2/c1-4-27-24(34)30(15-14-29(2)3)18-22-16-28-25(31(22)17-20-10-6-5-7-11-20)35(32,33)19-21-12-8-9-13-23(21)26/h5-13,16H,4,14-15,17-19H2,1-3H3,(H,27,34)

InChI Key

MJXZFFZEPCNJKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19817456

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

517.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.760

Distribution Coefficient, logD

0.519

Water Solubility, LogSw

-3.73

Polar Surface Area

56.176

Acid Dissociation Constant (pKa)

17.87

Base Dissociation Constant (pKb)

10.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

V010-8719 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
Targets:
  • Kinases
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V010-8719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-8719?
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What is the minimum amount of V010-8719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-8719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-8719
  • 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 V010-8719 available by request