V026-9565 Screening compound: 1-(adamantane-1-carbonyl)-4-{6-[(2-methoxyphenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}-2-methylpiperazine

V026-9565 Screening compound: 1-(adamantane-1-carbonyl)-4-{6-[(2-methoxyphenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}-2-methylpiperazine
V026-9565 Screening compound: 1-(adamantane-1-carbonyl)-4-{6-[(2-methoxyphenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}-2-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-9565
1-(adamantane-1-carbonyl)-4-{6-[(2-methoxyphenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}-2-methylpiperazine

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

V026-9565

Molecular Formula

C31H37N3O3S (C31 H37 N3 O3 S)

Compound Name

1-(adamantane-1-carbonyl)-4-{6-[(2-methoxyphenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}-2-methylpiperazine

IUPAC name

1-(adamantane-1-carbonyl)-4-{6-[(2-methoxyphenyl)methyl]-6H-thieno[23-b]pyrrole-5-carbonyl}-2-methylpiperazine

SMILES

CC(CN(CC1)C(c(n2Cc(cccc3)c3OC)cc3c2scc3)=O)N1C(C1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C31H37N3O3S/c1-20-18-32(8-9-33(20)30(36)31-15-21-11-22(16-31)13-23(12-21)17-31)28(35)26-14-24-7-10-38-29(24)34(26)19-25-5-3-4-6-27(25)37-2/h3-7,10,14,20-23H,8-9,11-13,15-19H2,1-2H3/t20-,21?,22?,23?,31?/m0/s1

InChI Key

ZQROEDNEOPDPKC-UGLFBHLWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

531.72

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.557

Distribution Coefficient, logD

6.557

Water Solubility, LogSw

-5.92

Polar Surface Area

41.532

Acid Dissociation Constant (pKa)

24.62

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.80

References: we are preparing a list of scientific research reports with V026-9565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-9565?
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What is the minimum amount of V026-9565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-9565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-9565
  • 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 V026-9565 available by request