V030-7744 Screening compound: 1-(3,4-dimethylphenyl)-2-(2-thienylmethyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine

V030-7744 Screening compound: 1-(3,4-dimethylphenyl)-2-(2-thienylmethyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
V030-7744 Screening compound: 1-(3,4-dimethylphenyl)-2-(2-thienylmethyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-7744
1-(3,4-dimethylphenyl)-2-(2-thienylmethyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine

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

V030-7744

Molecular Formula

C21H24N2S (C21 H24 N2 S)

Compound Name

1-(3,4-dimethylphenyl)-2-(2-thienylmethyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine

IUPAC name

1-(34-dimethylphenyl)-2-[(thiophen-2-yl)methyl]-1H2H3H4H5H-pyrrolo[12-a][14]diazepine

SMILES

Cc1c(C)cc(C2N(Cc3cccs3)CCCn3c2ccc3)cc1

InChI

InChI=1S/C21H24N2S/c1-16-8-9-18(14-17(16)2)21-20-7-3-10-22(20)11-5-12-23(21)15-19-6-4-13-24-19/h3-4,6-10,13-14,21H,5,11-12,15H2,1-2H3/t21-/m1/s1

InChI Key

LRANWTBVCSXSNB-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19893072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.5

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.368

Distribution Coefficient, logD

5.258

Water Solubility, LogSw

-5.45

Polar Surface Area

6.960

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

6.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with V030-7744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-7744?
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What is the minimum amount of V030-7744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-7744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-7744
  • 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 V030-7744 available by request