8019-8497 Screening compound: methyl 5-{(2R,3S,4R)-3-chloro-4-[(methoxycarbonyl)amino]tetrahydro-2-thiophenyl}pentanoate

8019-8497 Screening compound: methyl 5-{(2R,3S,4R)-3-chloro-4-[(methoxycarbonyl)amino]tetrahydro-2-thiophenyl}pentanoate
8019-8497 Screening compound: methyl 5-{(2R,3S,4R)-3-chloro-4-[(methoxycarbonyl)amino]tetrahydro-2-thiophenyl}pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8497
methyl 5-{(2R,3S,4R)-3-chloro-4-[(methoxycarbonyl)amino]tetrahydro-2-thiophenyl}pentanoate

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

8019-8497

Molecular Formula

C12H20ClNO4S (C12 H20 ClNO4 S)

Compound Name

methyl 5-{(2R,3S,4R)-3-chloro-4-[(methoxycarbonyl)amino]tetrahydro-2-thiophenyl}pentanoate

IUPAC name

n/a

SMILES

COC(CCCC[C@@H]([C@@H]1Cl)SC[C@@H]1NC(OC)=O)=O

InChI

InChI=1S/C12H20ClNO4S/c1-17-10(15)6-4-3-5-9-11(13)8(7-19-9)14-12(16)18-2/h8-9,11H,3-7H2,1-2H3,(H,14,16)/t8-,9-,11+/m0/s1

InChI Key

RVBCICRKXVNKTK-ATZCPNFKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.81

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.078

Distribution Coefficient, logD

2.078

Water Solubility, LogSw

-2.25

Polar Surface Area

54.485

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

83.30

References: we are preparing a list of scientific research reports with 8019-8497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8497?
Check Price and Availability of 8019-8497, 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 8019-8497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8497
  • 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 8019-8497 available by request