V024-9458 Screening compound: 4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(2-methoxyacetamido)phenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide

V024-9458 Screening compound: 4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(2-methoxyacetamido)phenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
V024-9458 Screening compound: 4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(2-methoxyacetamido)phenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-9458
4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(2-methoxyacetamido)phenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide

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

V024-9458

Molecular Formula

C30H31F4N5O4 (C30 H31 F4 N5 O4)

Compound Name

4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(2-methoxyacetamido)phenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide

IUPAC name

4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(2-methoxyacetamido)phenyl)-N-[3-(trifluoromethyl)phenyl]-14-diazepane-1-carboxamide

SMILES

COCC(Nc(cc1)cc(C(NCc(cc2)ccc2F)=O)c1N(CCC1)CCN1C(Nc1cc(C(F)(F)F)ccc1)=O)=O

InChI

InChI=1S/C30H31F4N5O4/c1-43-19-27(40)36-24-10-11-26(25(17-24)28(41)35-18-20-6-8-22(31)9-7-20)38-12-3-13-39(15-14-38)29(42)37-23-5-2-4-21(16-23)30(32,33)34/h2,4-11,16-17H,3,12-15,18-19H2,1H3,(H,35,41)(H,36,40)(H,37,42)

InChI Key

PUIWLGNXLZNJSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14259225

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

601.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.881

Distribution Coefficient, logD

4.879

Water Solubility, LogSw

-4.68

Polar Surface Area

84.985

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with V024-9458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-9458?
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What is the minimum amount of V024-9458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-9458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-9458
  • 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 V024-9458 available by request