V030-3446 Screening compound: 1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-propanone

V030-3446 Screening compound: 1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-propanone
V030-3446 Screening compound: 1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-3446
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-propanone

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

V030-3446

Molecular Formula

C29H32FN3O2S (C29 H32 FN3 O2 S)

Compound Name

1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-propanone

IUPAC name

1-[4-(4-fluorobenzoyl)-14-diazepan-1-yl]-2-[4-(2-methylphenyl)-4H5H6H7H-thieno[32-c]pyridin-5-yl]propan-1-one

SMILES

CC(C(N(CCC1)CCN1C(c(cc1)ccc1F)=O)=O)N(CCc1c2ccs1)C2c1c(C)cccc1

InChI

InChI=1S/C29H32FN3O2S/c1-20-6-3-4-7-24(20)27-25-13-19-36-26(25)12-16-33(27)21(2)28(34)31-14-5-15-32(18-17-31)29(35)22-8-10-23(30)11-9-22/h3-4,6-11,13,19,21,27H,5,12,14-18H2,1-2H3

InChI Key

LOVVWSGIRWKBJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19939894

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

505.66

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

4.851

Distribution Coefficient, logD

4.823

Water Solubility, LogSw

-4.52

Polar Surface Area

37.343

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.93

References: we are preparing a list of scientific research reports with V030-3446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-3446?
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What is the minimum amount of V030-3446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-3446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-3446
  • 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 V030-3446 available by request