V018-0280 Screening compound: 1-(cyclopropylmethyl)-3-ethyl-1-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}thiourea

V018-0280 Screening compound: 1-(cyclopropylmethyl)-3-ethyl-1-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}thiourea
V018-0280 Screening compound: 1-(cyclopropylmethyl)-3-ethyl-1-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-0280
1-(cyclopropylmethyl)-3-ethyl-1-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}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

V018-0280

Molecular Formula

C21H30N4O3S2 (C21 H30 N4 O3 S2)

Compound Name

1-(cyclopropylmethyl)-3-ethyl-1-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}thiourea

IUPAC name

1-(cyclopropylmethyl)-3-ethyl-1-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}thiourea

SMILES

CCNC(N(CC1CC1)Cc(n1CCOC)cnc1S(Cc1ccccc1)(=O)=O)=S

InChI

InChI=1S/C21H30N4O3S2/c1-3-22-20(29)24(14-17-9-10-17)15-19-13-23-21(25(19)11-12-28-2)30(26,27)16-18-7-5-4-6-8-18/h4-8,13,17H,3,9-12,14-16H2,1-2H3,(H,22,29)

InChI Key

IGWNRRQQFXLPPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19819229

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

450.63

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

2.614

Distribution Coefficient, logD

2.614

Water Solubility, LogSw

-2.71

Polar Surface Area

61.176

Acid Dissociation Constant (pKa)

17.87

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

V018-0280 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 V018-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-0280?
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What is the minimum amount of V018-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-0280
  • 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 V018-0280 available by request