V008-6540 Screening compound: 1-benzyl-1-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-(propan-2-yl)thiourea

V008-6540 Screening compound: 1-benzyl-1-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-(propan-2-yl)thiourea
V008-6540 Screening compound: 1-benzyl-1-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-(propan-2-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-6540
1-benzyl-1-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-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

V008-6540

Molecular Formula

C28H33ClN6OS (C28 H33 ClN6 OS)

Compound Name

1-benzyl-1-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-(propan-2-yl)thiourea

IUPAC name

1-benzyl-1-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)-3-(propan-2-yl)thiourea

SMILES

CC(C)NC(N(CC(N(CCC1)CCN1c(cc1)nnc1-c(cccc1)c1Cl)=O)Cc1ccccc1)=S

InChI

InChI=1S/C28H33ClN6OS/c1-21(2)30-28(37)35(19-22-9-4-3-5-10-22)20-27(36)34-16-8-15-33(17-18-34)26-14-13-25(31-32-26)23-11-6-7-12-24(23)29/h3-7,9-14,21H,8,15-20H2,1-2H3,(H,30,37)

InChI Key

OVVSOGUJKFXDRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19836808

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

537.13

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.643

Distribution Coefficient, logD

4.637

Water Solubility, LogSw

-4.76

Polar Surface Area

51.915

Acid Dissociation Constant (pKa)

18.14

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.71

References: we are preparing a list of scientific research reports with V008-6540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-6540?
Check Price and Availability of V008-6540, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V008-6540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-6540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-6540
  • 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 V008-6540 available by request