V013-8255 Screening compound: 1-({2-[(4-fluorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-1,3-bis(propan-2-yl)urea

V013-8255 Screening compound: 1-({2-[(4-fluorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-1,3-bis(propan-2-yl)urea
V013-8255 Screening compound: 1-({2-[(4-fluorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-1,3-bis(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-8255
1-({2-[(4-fluorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-1,3-bis(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

V013-8255

Molecular Formula

C21H31FN4O3S (C21 H31 FN4 O3 S)

Compound Name

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

IUPAC name

1-({2-[(4-fluorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-13-bis(propan-2-yl)urea

SMILES

CC(C)NC(N(Cc(n1C(C)C)cnc1S(Cc(cc1)ccc1F)(=O)=O)C(C)C)=O

InChI

InChI=1S/C21H31FN4O3S/c1-14(2)24-20(27)25(15(3)4)12-19-11-23-21(26(19)16(5)6)30(28,29)13-17-7-9-18(22)10-8-17/h7-11,14-16H,12-13H2,1-6H3,(H,24,27)

InChI Key

CGPAUYYRIXUYBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19830752

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

438.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.293

Distribution Coefficient, logD

3.293

Water Solubility, LogSw

-3.65

Polar Surface Area

67.342

Acid Dissociation Constant (pKa)

17.50

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

V013-8255 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 V013-8255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-8255?
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What is the minimum amount of V013-8255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-8255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-8255
  • 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 V013-8255 available by request