V004-6645 Screening compound: N-(butan-2-yl)-2-fluoro-N-({2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)benzamide

V004-6645 Screening compound: N-(butan-2-yl)-2-fluoro-N-({2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)benzamide
V004-6645 Screening compound: N-(butan-2-yl)-2-fluoro-N-({2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-6645
N-(butan-2-yl)-2-fluoro-N-({2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-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

V004-6645

Molecular Formula

C23H25FN2O2S (C23 H25 FN2 O2 S)

Compound Name

N-(butan-2-yl)-2-fluoro-N-({2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)benzamide

IUPAC name

N-(butan-2-yl)-2-fluoro-N-({2-[(2-methylphenoxy)methyl]-13-thiazol-4-yl}methyl)benzamide

SMILES

CCC(C)N(Cc1csc(COc2c(C)cccc2)n1)C(c(cccc1)c1F)=O

InChI

InChI=1S/C23H25FN2O2S/c1-4-17(3)26(23(27)19-10-6-7-11-20(19)24)13-18-15-29-22(25-18)14-28-21-12-8-5-9-16(21)2/h5-12,15,17H,4,13-14H2,1-3H3/t17-/m0/s1

InChI Key

XDHRYLLSDKUHHX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19864290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.711

Distribution Coefficient, logD

5.711

Water Solubility, LogSw

-5.51

Polar Surface Area

34.088

Acid Dissociation Constant (pKa)

26.65

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with V004-6645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-6645?
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What is the minimum amount of V004-6645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-6645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-6645
  • 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 V004-6645 available by request