V021-3876 Screening compound: 3-(3,5-dimethoxyphenyl)-1-(6-{4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)urea

V021-3876 Screening compound: 3-(3,5-dimethoxyphenyl)-1-(6-{4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)urea
V021-3876 Screening compound: 3-(3,5-dimethoxyphenyl)-1-(6-{4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-3876
3-(3,5-dimethoxyphenyl)-1-(6-{4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-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

V021-3876

Molecular Formula

C26H30FN5O3 (C26 H30 FN5 O3)

Compound Name

3-(3,5-dimethoxyphenyl)-1-(6-{4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)urea

IUPAC name

3-(35-dimethoxyphenyl)-1-(6-{4-[(4-fluorophenyl)methyl]-14-diazepan-1-yl}pyridin-3-yl)urea

SMILES

COc1cc(NC(Nc(cc2)cnc2N2CCN(Cc(cc3)ccc3F)CCC2)=O)cc(OC)c1

InChI

InChI=1S/C26H30FN5O3/c1-34-23-14-22(15-24(16-23)35-2)30-26(33)29-21-8-9-25(28-17-21)32-11-3-10-31(12-13-32)18-19-4-6-20(27)7-5-19/h4-9,14-17H,3,10-13,18H2,1-2H3,(H2,29,30,33)

InChI Key

CTMZQXBXBJMELJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19912431

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

479.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.289

Distribution Coefficient, logD

5.204

Water Solubility, LogSw

-5.10

Polar Surface Area

63.554

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with V021-3876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-3876?
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What is the minimum amount of V021-3876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-3876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-3876
  • 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 V021-3876 available by request