V009-1960 Screening compound: 1-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)thiourea

V009-1960 Screening compound: 1-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)thiourea
V009-1960 Screening compound: 1-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-1960
1-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)thiourea

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

V009-1960

Molecular Formula

C27H38N6O3S (C27 H38 N6 O3 S)

Compound Name

1-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)thiourea

IUPAC name

1-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)thiourea

SMILES

CC(C)NC(N(CC1OCCC1)CC(N(CCC1)CCN1c(cc1)nnc1-c(cc1)ccc1OC)=O)=S

InChI

InChI=1S/C27H38N6O3S/c1-20(2)28-27(37)33(18-23-6-4-17-36-23)19-26(34)32-14-5-13-31(15-16-32)25-12-11-24(29-30-25)21-7-9-22(35-3)10-8-21/h7-12,20,23H,4-6,13-19H2,1-3H3,(H,28,37)/t23-/m1/s1

InChI Key

XQODTKITGDIPBP-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19831120

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

526.7

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.090

Distribution Coefficient, logD

3.086

Water Solubility, LogSw

-3.35

Polar Surface Area

68.113

Acid Dissociation Constant (pKa)

17.90

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

V009-1960 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 V009-1960 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-1960?
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What is the minimum amount of V009-1960 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-1960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-1960
  • 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 V009-1960 available by request