V017-8296 Screening compound: 1-(cyclopropylmethyl)-1-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-(propan-2-yl)urea

V017-8296 Screening compound: 1-(cyclopropylmethyl)-1-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-(propan-2-yl)urea
V017-8296 Screening compound: 1-(cyclopropylmethyl)-1-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-8296
1-(cyclopropylmethyl)-1-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-(propan-2-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

V017-8296

Molecular Formula

C25H33FN6O2 (C25 H33 FN6 O2)

Compound Name

1-(cyclopropylmethyl)-1-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-(propan-2-yl)urea

IUPAC name

1-(cyclopropylmethyl)-1-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)-3-(propan-2-yl)urea

SMILES

CC(C)NC(N(CC1CC1)CC(N(CCC1)CCN1c(cc1)nnc1-c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C25H33FN6O2/c1-18(2)27-25(34)32(16-19-4-5-19)17-24(33)31-13-3-12-30(14-15-31)23-11-10-22(28-29-23)20-6-8-21(26)9-7-20/h6-11,18-19H,3-5,12-17H2,1-2H3,(H,27,34)

InChI Key

NZWBWTRQZCRMQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19834456

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

468.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.517

Distribution Coefficient, logD

3.515

Water Solubility, LogSw

-3.62

Polar Surface Area

67.008

Acid Dissociation Constant (pKa)

16.86

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

V017-8296 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V017-8296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-8296?
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What is the minimum amount of V017-8296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-8296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-8296
  • 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 V017-8296 available by request