V022-8900 Screening compound: 1-(4-{2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propanoyl}-1,4-diazepan-1-yl)-1-butanone

V022-8900 Screening compound: 1-(4-{2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propanoyl}-1,4-diazepan-1-yl)-1-butanone
V022-8900 Screening compound: 1-(4-{2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propanoyl}-1,4-diazepan-1-yl)-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-8900
1-(4-{2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propanoyl}-1,4-diazepan-1-yl)-1-butanone

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

V022-8900

Molecular Formula

C26H35N3O2S (C26 H35 N3 O2 S)

Compound Name

1-(4-{2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propanoyl}-1,4-diazepan-1-yl)-1-butanone

IUPAC name

1-(4-{2-[4-(2-methylphenyl)-4H5H6H7H-thieno[32-c]pyridin-5-yl]propanoyl}-14-diazepan-1-yl)butan-1-one

SMILES

CCCC(N(CCC1)CCN1C(C(C)N(CCc1c2ccs1)C2c1c(C)cccc1)=O)=O

InChI

InChI=1S/C26H35N3O2S/c1-4-8-24(30)27-13-7-14-28(17-16-27)26(31)20(3)29-15-11-23-22(12-18-32-23)25(29)21-10-6-5-9-19(21)2/h5-6,9-10,12,18,20,25H,4,7-8,11,13-17H2,1-3H3

InChI Key

LSWKODPASKEENZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19939890

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

453.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.533

Distribution Coefficient, logD

4.505

Water Solubility, LogSw

-4.15

Polar Surface Area

37.087

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.85

References: we are preparing a list of scientific research reports with V022-8900 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-8900?
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What is the minimum amount of V022-8900 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-8900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-8900
  • 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 V022-8900 available by request