V031-0030 Screening compound: 1-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-2-[4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-ethanone

V031-0030 Screening compound: 1-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-2-[4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-ethanone
V031-0030 Screening compound: 1-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-2-[4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0030
1-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-2-[4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-ethanone

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

V031-0030

Molecular Formula

C27H27Cl2N3O2S (C27 H27 Cl2 N3 O2 S)

Compound Name

1-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-2-[4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-ethanone

IUPAC name

1-[4-(24-dichlorobenzoyl)-14-diazepan-1-yl]-2-{4-phenyl-4H5H6H7H-thieno[32-c]pyridin-5-yl}ethan-1-one

SMILES

O=C(CN(CCc1c2ccs1)C2c1ccccc1)N(CCC1)CCN1C(c(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C27H27Cl2N3O2S/c28-20-7-8-21(23(29)17-20)27(34)31-12-4-11-30(14-15-31)25(33)18-32-13-9-24-22(10-16-35-24)26(32)19-5-2-1-3-6-19/h1-3,5-8,10,16-17,26H,4,9,11-15,18H2/t26-/m1/s1

InChI Key

DHXNVIYBXYYAHG-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19935578

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

528.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.872

Distribution Coefficient, logD

4.832

Water Solubility, LogSw

-5.08

Polar Surface Area

37.309

Acid Dissociation Constant (pKa)

21.49

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with V031-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0030?
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What is the minimum amount of V031-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0030
  • 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 V031-0030 available by request