V021-0452 Screening compound: 2,4-dichloro-N-(cyclopropylmethyl)-N-({2-[(4-fluorophenyl)methanesulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl}methyl)benzamide

V021-0452 Screening compound: 2,4-dichloro-N-(cyclopropylmethyl)-N-({2-[(4-fluorophenyl)methanesulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl}methyl)benzamide
V021-0452 Screening compound: 2,4-dichloro-N-(cyclopropylmethyl)-N-({2-[(4-fluorophenyl)methanesulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-0452
2,4-dichloro-N-(cyclopropylmethyl)-N-({2-[(4-fluorophenyl)methanesulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl}methyl)benzamide

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

V021-0452

Molecular Formula

C25H26Cl2FN3O4S (C25 H26 Cl2 FN3 O4 S)

Compound Name

2,4-dichloro-N-(cyclopropylmethyl)-N-({2-[(4-fluorophenyl)methanesulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl}methyl)benzamide

IUPAC name

24-dichloro-N-(cyclopropylmethyl)-N-({2-[(4-fluorophenyl)methanesulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl}methyl)benzamide

SMILES

COCCn1c(S(Cc(cc2)ccc2F)(=O)=O)ncc1CN(CC1CC1)C(c(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C25H26Cl2FN3O4S/c1-35-11-10-31-21(13-29-25(31)36(33,34)16-18-4-7-20(28)8-5-18)15-30(14-17-2-3-17)24(32)22-9-6-19(26)12-23(22)27/h4-9,12-13,17H,2-3,10-11,14-16H2,1H3

InChI Key

KGIPUSWOGPWTBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19829616

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

554.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.209

Distribution Coefficient, logD

4.209

Water Solubility, LogSw

-4.50

Polar Surface Area

65.707

Acid Dissociation Constant (pKa)

19.56

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

V021-0452 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 V021-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-0452?
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What is the minimum amount of V021-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-0452
  • 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 V021-0452 available by request