C274-3581 Screening compound: ETHYL 4-{4-[(5-BROMOTHIOPHENE-2-SULFONAMIDO)METHYL]CYCLOHEXANEAMIDO}BENZOATE

C274-3581 Screening compound: ETHYL 4-{4-[(5-BROMOTHIOPHENE-2-SULFONAMIDO)METHYL]CYCLOHEXANEAMIDO}BENZOATE
C274-3581 Screening compound: ETHYL 4-{4-[(5-BROMOTHIOPHENE-2-SULFONAMIDO)METHYL]CYCLOHEXANEAMIDO}BENZOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound C274-3581
ETHYL 4-{4-[(5-BROMOTHIOPHENE-2-SULFONAMIDO)METHYL]CYCLOHEXANEAMIDO}BENZOATE

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

C274-3581

Molecular Formula

C21H25BrN2O5S2 (C21 H25 BrN2 O5 S2)

Compound Name

ETHYL 4-{4-[(5-BROMOTHIOPHENE-2-SULFONAMIDO)METHYL]CYCLOHEXANEAMIDO}BENZOATE

IUPAC name

n/a

SMILES

CCOC(c(cc1)ccc1NC(C1CCC(CNS(c(s2)ccc2Br)(=O)=O)CC1)=O)=O

InChI

InChI=1S/C21H25BrN2O5S2/c1-2-29-21(26)16-7-9-17(10-8-16)24-20(25)15-5-3-14(4-6-15)13-23-31(27,28)19-12-11-18(22)30-19/h7-12,14-15,23H,2-6,13H2,1H3,(H,24,25)

InChI Key

SKKQUTOTGKOPJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.143

Distribution Coefficient, logD

5.142

Water Solubility, LogSw

-5.09

Polar Surface Area

87.052

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C274-3581 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C274-3581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C274-3581?
Check Price and Availability of C274-3581, 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 C274-3581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C274-3581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C274-3581
  • 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 C274-3581 available by request