4488-1990 Screening compound: 3-({6-tert-butyl-3-[(2-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)propanoic acid

4488-1990 Screening compound: 3-({6-tert-butyl-3-[(2-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)propanoic acid
4488-1990 Screening compound: 3-({6-tert-butyl-3-[(2-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4488-1990
3-({6-tert-butyl-3-[(2-chlorophenyl)carbamoyl]-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

4488-1990

Molecular Formula

C23H27ClN2O4S (C23 H27 ClN2 O4 S)

Compound Name

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

IUPAC name

3-({6-tert-butyl-3-[(2-chlorophenyl)carbamoyl]-4567-tetrahydro-1-benzothiophen-2-yl}carbamoyl)propanoic acid

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(Nc(cccc1)c1Cl)=O)c(NC(CCC(O)=O)=O)s2

InChI

InChI=1S/C23H27ClN2O4S/c1-23(2,3)13-8-9-14-17(12-13)31-22(26-18(27)10-11-19(28)29)20(14)21(30)25-16-7-5-4-6-15(16)24/h4-7,13H,8-12H2,1-3H3,(H,25,30)(H,26,27)(H,28,29)/t13-/m1/s1

InChI Key

WTHUQVCZEQRGPM-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD03017455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.590

Distribution Coefficient, logD

1.641

Water Solubility, LogSw

-4.39

Polar Surface Area

73.880

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-4.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

4488-1990 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 4488-1990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4488-1990?
Check Price and Availability of 4488-1990, 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 4488-1990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4488-1990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4488-1990
  • 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 4488-1990 available by request