K978-1312 Screening compound: 1,3-dimethyl 5-[3-(4-methoxybenzenesulfonyl)propanamido]benzene-1,3-dicarboxylate

K978-1312 Screening compound: 1,3-dimethyl 5-[3-(4-methoxybenzenesulfonyl)propanamido]benzene-1,3-dicarboxylate
K978-1312 Screening compound: 1,3-dimethyl 5-[3-(4-methoxybenzenesulfonyl)propanamido]benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-1312
1,3-dimethyl 5-[3-(4-methoxybenzenesulfonyl)propanamido]benzene-1,3-dicarboxylate

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

K978-1312

Molecular Formula

C20H21NO8S (C20 H21 NO8 S)

Compound Name

1,3-dimethyl 5-[3-(4-methoxybenzenesulfonyl)propanamido]benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-[3-(4-methoxybenzenesulfonyl)propanamido]benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(CCS(c(cc2)ccc2OC)(=O)=O)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C20H21NO8S/c1-27-16-4-6-17(7-5-16)30(25,26)9-8-18(22)21-15-11-13(19(23)28-2)10-14(12-15)20(24)29-3/h4-7,10-12H,8-9H2,1-3H3,(H,21,22)

InChI Key

WBBPGZCJNUVXQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.45

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.731

Distribution Coefficient, logD

2.731

Water Solubility, LogSw

-3.48

Polar Surface Area

102.044

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with K978-1312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-1312?
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What is the minimum amount of K978-1312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-1312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-1312
  • 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 K978-1312 available by request