V028-0944 Screening compound: N-({1-benzyl-2-[(4-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N-(2-methoxyethyl)-3,3-dimethylbutanamide

V028-0944 Screening compound: N-({1-benzyl-2-[(4-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N-(2-methoxyethyl)-3,3-dimethylbutanamide
V028-0944 Screening compound: N-({1-benzyl-2-[(4-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N-(2-methoxyethyl)-3,3-dimethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0944
N-({1-benzyl-2-[(4-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N-(2-methoxyethyl)-3,3-dimethylbutanamide

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

V028-0944

Molecular Formula

C28H37N3O4S (C28 H37 N3 O4 S)

Compound Name

N-({1-benzyl-2-[(4-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N-(2-methoxyethyl)-3,3-dimethylbutanamide

IUPAC name

N-({1-benzyl-2-[(4-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N-(2-methoxyethyl)-33-dimethylbutanamide

SMILES

CC(C)(C)CC(N(CCOC)Cc(n1Cc2ccccc2)cnc1S(Cc1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C28H37N3O4S/c1-22-11-13-24(14-12-22)21-36(33,34)27-29-18-25(31(27)19-23-9-7-6-8-10-23)20-30(15-16-35-5)26(32)17-28(2,3)4/h6-14,18H,15-17,19-21H2,1-5H3

InChI Key

BCVWIUQFCCVCFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19816009

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

511.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.620

Distribution Coefficient, logD

4.620

Water Solubility, LogSw

-4.26

Polar Surface Area

64.928

Acid Dissociation Constant (pKa)

20.02

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

V028-0944 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 V028-0944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0944?
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What is the minimum amount of V028-0944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0944
  • 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 V028-0944 available by request