V017-9730 Screening compound: 1-(cyclopropylmethyl)-1-({2-[(4-fluorophenyl)methanesulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl}methyl)-3-(propan-2-yl)urea

V017-9730 Screening compound: 1-(cyclopropylmethyl)-1-({2-[(4-fluorophenyl)methanesulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl}methyl)-3-(propan-2-yl)urea
V017-9730 Screening compound: 1-(cyclopropylmethyl)-1-({2-[(4-fluorophenyl)methanesulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl}methyl)-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-9730
1-(cyclopropylmethyl)-1-({2-[(4-fluorophenyl)methanesulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl}methyl)-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

V017-9730

Molecular Formula

C22H31FN4O4S (C22 H31 FN4 O4 S)

Compound Name

1-(cyclopropylmethyl)-1-({2-[(4-fluorophenyl)methanesulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl}methyl)-3-(propan-2-yl)urea

IUPAC name

1-(cyclopropylmethyl)-1-({2-[(4-fluorophenyl)methanesulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl}methyl)-3-(propan-2-yl)urea

SMILES

CC(C)NC(N(CC1CC1)Cc(n1CCOC)cnc1S(Cc(cc1)ccc1F)(=O)=O)=O

InChI

InChI=1S/C22H31FN4O4S/c1-16(2)25-21(28)26(13-17-4-5-17)14-20-12-24-22(27(20)10-11-31-3)32(29,30)15-18-6-8-19(23)9-7-18/h6-9,12,16-17H,4-5,10-11,13-15H2,1-3H3,(H,25,28)

InChI Key

BWYBFDBHYMGQNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19826170

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

466.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.691

Distribution Coefficient, logD

2.691

Water Solubility, LogSw

-2.89

Polar Surface Area

75.095

Acid Dissociation Constant (pKa)

17.05

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

V017-9730 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 V017-9730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-9730?
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What is the minimum amount of V017-9730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-9730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-9730
  • 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 V017-9730 available by request