3261-0337 Screening compound: 3-({3-[(4-methoxyphenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)propanoic acid

3261-0337 Screening compound: 3-({3-[(4-methoxyphenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)propanoic acid
3261-0337 Screening compound: 3-({3-[(4-methoxyphenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3261-0337
3-({3-[(4-methoxyphenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)propanoic acid

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

3261-0337

Molecular Formula

C21H24N2O5S (C21 H24 N2 O5 S)

Compound Name

3-({3-[(4-methoxyphenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)propanoic acid

IUPAC name

3-({3-[(4-methoxyphenyl)carbamoyl]-6-methyl-4567-tetrahydro-1-benzothiophen-2-yl}carbamoyl)propanoic acid

SMILES

CC(CC1)Cc2c1c(C(Nc(cc1)ccc1OC)=O)c(NC(CCC(O)=O)=O)s2

InChI

InChI=1S/C21H24N2O5S/c1-12-3-8-15-16(11-12)29-21(23-17(24)9-10-18(25)26)19(15)20(27)22-13-4-6-14(28-2)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,22,27)(H,23,24)(H,25,26)/t12-/m1/s1

InChI Key

BZVPTVNXVSYXQP-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD01926334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.200

Distribution Coefficient, logD

0.251

Water Solubility, LogSw

-3.88

Polar Surface Area

82.122

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

3261-0337 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3261-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3261-0337?
Check Price and Availability of 3261-0337, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3261-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3261-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3261-0337
  • 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 3261-0337 available by request