V021-7111 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{2-[4-(6-{[1,1'-biphenyl]-4-yl}pyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}-3-tert-butylurea

V021-7111 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{2-[4-(6-{[1,1'-biphenyl]-4-yl}pyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}-3-tert-butylurea
V021-7111 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{2-[4-(6-{[1,1'-biphenyl]-4-yl}pyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}-3-tert-butylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-7111
1-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{2-[4-(6-{[1,1'-biphenyl]-4-yl}pyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}-3-tert-butylurea

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

V021-7111

Molecular Formula

C35H38N6O4 (C35 H38 N6 O4)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{2-[4-(6-{[1,1'-biphenyl]-4-yl}pyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}-3-tert-butylurea

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-1-{2-[4-(6-{[11'-biphenyl]-4-yl}pyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}-3-tert-butylurea

SMILES

CC(C)(C)NC(N(CC(N(CC1)CCN1c(cc1)nnc1-c(cc1)ccc1-c1ccccc1)=O)Cc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C35H38N6O4/c1-35(2,3)36-34(43)41(22-25-9-15-30-31(21-25)45-24-44-30)23-33(42)40-19-17-39(18-20-40)32-16-14-29(37-38-32)28-12-10-27(11-13-28)26-7-5-4-6-8-26/h4-16,21H,17-20,22-24H2,1-3H3,(H,36,43)

InChI Key

KQVYCIGWCAFXMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19840284

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

606.72

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.711

Distribution Coefficient, logD

5.710

Water Solubility, LogSw

-5.59

Polar Surface Area

82.848

Acid Dissociation Constant (pKa)

16.83

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.40

V021-7111 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V021-7111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-7111?
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What is the minimum amount of V021-7111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-7111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-7111
  • 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 V021-7111 available by request