2513-1270 Screening compound: METHYL 3-[(2-BROMOBENZOYL)AMINO]-4,5-DIHYDRO-2-THIOPHENECARBOXYLATE

2513-1270 Screening compound: METHYL 3-[(2-BROMOBENZOYL)AMINO]-4,5-DIHYDRO-2-THIOPHENECARBOXYLATE
2513-1270 Screening compound: METHYL 3-[(2-BROMOBENZOYL)AMINO]-4,5-DIHYDRO-2-THIOPHENECARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-1270
METHYL 3-[(2-BROMOBENZOYL)AMINO]-4,5-DIHYDRO-2-THIOPHENECARBOXYLATE

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

2513-1270

Molecular Formula

C13H12BrNO3S (C13 H12 BrNO3 S)

Compound Name

METHYL 3-[(2-BROMOBENZOYL)AMINO]-4,5-DIHYDRO-2-THIOPHENECARBOXYLATE

IUPAC name

n/a

SMILES

COC(C(SCC1)=C1NC(c(cccc1)c1Br)=O)=O

InChI

InChI=1S/C13H12BrNO3S/c1-18-13(17)11-10(6-7-19-11)15-12(16)8-4-2-3-5-9(8)14/h2-5H,6-7H2,1H3,(H,15,16)

InChI Key

XKIMYGIEEHFHPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02641557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.247

Distribution Coefficient, logD

-1.425

Water Solubility, LogSw

-2.99

Polar Surface Area

44.871

Acid Dissociation Constant (pKa)

3.73

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

2513-1270 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2513-1270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2513-1270?
Check Price and Availability of 2513-1270, 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 2513-1270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-1270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-1270
  • 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 2513-1270 available by request